2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C12H13N5O — CID 23585146

IUPAC2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C12H13N5O/c1-17-9-3-5-14-11(18)7(9)6-10(17)8-2-4-15-12(13)16-8/h2,4,6H,3,5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyVTAVRVCPEAWQKL-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.35
Rot. Bonds1

About 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585146) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585146
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C12H13N5O/c1-17-9-3-5-14-11(18)7(9)6-10(17)8-2-4-15-12(13)16-8/h2,4,6H,3,5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyVTAVRVCPEAWQKL-UHFFFAOYSA-N
XLogP0.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585146) is 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cn1c(-c2ccnc(N)n2)cc2c1CCNC2=O.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VTAVRVCPEAWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-17-9-3-5-14-11(18)7(9)6-10(17)8-2-4-15-12(13)16-8/h2,4,6H,3,5H2,1H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 243.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).