7-Aminomethyl-7-carbaguanine
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Molecular Identity
7-Aminomethyl-7-carbaguanine
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID: 135398563
7-aminomethyl-7-deazaguanine is a pyrrolopyrimidine that is 7-deazaguanine bearing an aminomethyl substituent at the 7 position. It is a conjugate base of a 7-ammoniomethyl-7-deazaguanine.
2D Structure
Properties
C7H9N5O
Molecular Formula
179.18
Molecular Weight
g/mol
179.0807
Exact Mass
Da
-1.9
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
3
H-Bond Acceptors
264
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C2=C(N1)N=C(NC2=O)N)CNIsomeric SMILES
SMILES: C1=C(C2=C(N1)N=C(NC2=O)N)CNSynonyms(20)
7-Aminomethyl-7-carbaguanine7-DEAZA-7-AMINOMETHYL-GUANINE7-aminomethyl-7-deazaguanine2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-oneCHEBI:451262-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one2-amino-5-(aminomethyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one2-amino-5-(aminomethyl)-3,7-dihydropyrrolo(2,3-d)pyrimidin-4-one2-amino-5-(aminomethyl)-3H,4H,7H-pyrrolo(2,3-d)pyrimidin-4-one2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-oneRefChem:10579669251-45-2preQ12-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one2-amino-5-(aminomethyl)-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
Data from PubChem (NCBI)
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