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

C15H19N5O — CID 11483024

IUPAC2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20)
InChIKeyHDTDNCUCODJZRH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds3

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

2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11483024) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11483024
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20)
InChIKeyHDTDNCUCODJZRH-UHFFFAOYSA-N
XLogP1.75
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
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-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11483024) is 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)CC1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HDTDNCUCODJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.75, 3 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-(2-methylpropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11483024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).