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

C14H17N5O2 — CID 23582514

IUPAC2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCCO)CNC3=O)n1
InChIInChI=1S/C14H17N5O2/c15-14-16-4-3-10(19-14)11-6-9-12(18-11)8(2-1-5-20)7-17-13(9)21/h3-4,6,8,18,20H,1-2,5,7H2,(H,17,21)(H2,15,16,19)
InChIKeyQIRJHLOLXIFUFE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.65
Rot. Bonds4

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

2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 23582514) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID23582514
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCCO)CNC3=O)n1
InChIInChI=1S/C14H17N5O2/c15-14-16-4-3-10(19-14)11-6-9-12(18-11)8(2-1-5-20)7-17-13(9)21/h3-4,6,8,18,20H,1-2,5,7H2,(H,17,21)(H2,15,16,19)
InChIKeyQIRJHLOLXIFUFE-UHFFFAOYSA-N
XLogP0.65
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 23582514) is 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)C(CCCO)CNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QIRJHLOLXIFUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-14-16-4-3-10(19-14)11-6-9-12(18-11)8(2-1-5-20)7-17-13(9)21/h3-4,6,8,18,20H,1-2,5,7H2,(H,17,21)(H2,15,16,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23582514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).