2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

C13H13N5O — CID 135749906

IUPAC2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1
InChIInChI=1S/C13H13N5O/c1-8-6-10-11(12(19)17-13(14)16-10)18(8)7-9-2-4-15-5-3-9/h2-6H,7H2,1H3,(H3,14,16,17,19)
InChIKeyUHQJMYLAQDCABI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.06
Rot. Bonds2

About 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one

2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135749906) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135749906
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1
InChIInChI=1S/C13H13N5O/c1-8-6-10-11(12(19)17-13(14)16-10)18(8)7-9-2-4-15-5-3-9/h2-6H,7H2,1H3,(H3,14,16,17,19)
InChIKeyUHQJMYLAQDCABI-UHFFFAOYSA-N
XLogP1.06
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Peldesine
CID 135413525
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675
5-[[(1-Aminocyclopropyl)methyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]-2-pyridinecarboxamide
CID 90355303
2-amino-5-[(4-chlorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749908
2-amino-5-[(4-bromophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749909
2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749910
3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
CID 138105960
8-Fluoro-5-methyl-3-(pyridin-2-ylmethyl)pyrimido[5,4-b]indol-4-one
CID 1854647
6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 947944
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 24998410
5-(2-Amino-pyrimidin-4-yl)-1-methyl-2-phenyl-1H-pyrrole-3-carboxamide
CID 49788937

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 135749906) is 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1.
What is the InChIKey of 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is UHQJMYLAQDCABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-6-10-11(12(19)17-13(14)16-10)18(8)7-9-2-4-15-5-3-9/h2-6H,7H2,1H3,(H3,14,16,17,19).
What are the key properties of 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one?
2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135749906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).