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

C13H15N5O2 — CID 23582657

IUPAC2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCO)CNC3=O)n1
InChIInChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)
InChIKeyKVUYOXHSZKLWPI-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.26
Rot. Bonds3

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

2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 23582657) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID23582657
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCO)CNC3=O)n1
InChIInChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)
InChIKeyKVUYOXHSZKLWPI-UHFFFAOYSA-N
XLogP0.26
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.26
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-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 23582657) is 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)C(CCO)CNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KVUYOXHSZKLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 273.30 g/mol, XLogP of 0.26, 3 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-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23582657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).