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

C14H17N5O — CID 11425728

IUPAC2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCCNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C14H17N5O/c1-2-5-16-14-17-7-4-11(19-14)12-8-9-10(18-12)3-6-15-13(9)20/h4,7-8,18H,2-3,5-6H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyDIDPHYKBWXCRNK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.58
Rot. Bonds4

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

2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11425728) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11425728
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCCNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C14H17N5O/c1-2-5-16-14-17-7-4-11(19-14)12-8-9-10(18-12)3-6-15-13(9)20/h4,7-8,18H,2-3,5-6H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyDIDPHYKBWXCRNK-UHFFFAOYSA-N
XLogP1.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(propylamino)pyrimidin-4-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-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11425728) is 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCCNc1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DIDPHYKBWXCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-5-16-14-17-7-4-11(19-14)12-8-9-10(18-12)3-6-15-13(9)20/h4,7-8,18H,2-3,5-6H2,1H3,(H,15,20)(H,16,17,19).
What are the key properties of 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11425728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).