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

C14H17N5O — CID 11311779

IUPAC2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)C1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C14H17N5O/c1-7(2)10-6-11-8(13(20)18-10)5-12(17-11)9-3-4-16-14(15)19-9/h3-5,7,10,17H,6H2,1-2H3,(H,18,20)(H2,15,16,19)
InChIKeyOICDXYXKQJKQQQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.36
Rot. Bonds2

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

2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11311779) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11311779
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)C1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1
InChIInChI=1S/C14H17N5O/c1-7(2)10-6-11-8(13(20)18-10)5-12(17-11)9-3-4-16-14(15)19-9/h3-5,7,10,17H,6H2,1-2H3,(H,18,20)(H2,15,16,19)
InChIKeyOICDXYXKQJKQQQ-UHFFFAOYSA-N
XLogP1.36
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11311779) is 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)C1Cc2[nH]c(-c3ccnc(N)n3)cc2C(=O)N1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is OICDXYXKQJKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-7(2)10-6-11-8(13(20)18-10)5-12(17-11)9-3-4-16-14(15)19-9/h3-5,7,10,17H,6H2,1-2H3,(H,18,20)(H2,15,16,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-6-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.36, 2 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-propan-2-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11311779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).