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

C12H13N5O — CID 11425051

IUPAC2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C12H13N5O/c1-6-4-9-7(11(18)15-6)5-10(16-9)8-2-3-14-12(13)17-8/h2-3,5-6,16H,4H2,1H3,(H,15,18)(H2,13,14,17)
InChIKeyBHDDGGCFVFXSGM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.73
Rot. Bonds1

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

2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11425051) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11425051
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C12H13N5O/c1-6-4-9-7(11(18)15-6)5-10(16-9)8-2-3-14-12(13)17-8/h2-3,5-6,16H,4H2,1H3,(H,15,18)(H2,13,14,17)
InChIKeyBHDDGGCFVFXSGM-UHFFFAOYSA-N
XLogP0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11425051) is 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BHDDGGCFVFXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-6-4-9-7(11(18)15-6)5-10(16-9)8-2-3-14-12(13)17-8/h2-3,5-6,16H,4H2,1H3,(H,15,18)(H2,13,14,17).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 243.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11425051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).