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

C13H15N5O2 — CID 23585194

IUPAC2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CCO)CCNC3=O)n1
InChIInChI=1S/C13H15N5O2/c14-13-16-3-1-9(17-13)11-7-8-10(18(11)5-6-19)2-4-15-12(8)20/h1,3,7,19H,2,4-6H2,(H,15,20)(H2,14,16,17)
InChIKeyFLXBGGNDSKKNSQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.19
Rot. Bonds3

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

2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585194) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585194
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2CCO)CCNC3=O)n1
InChIInChI=1S/C13H15N5O2/c14-13-16-3-1-9(17-13)11-7-8-10(18(11)5-6-19)2-4-15-12(8)20/h1,3,7,19H,2,4-6H2,(H,15,20)(H2,14,16,17)
InChIKeyFLXBGGNDSKKNSQ-UHFFFAOYSA-N
XLogP-0.19
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585194) is 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c(n2CCO)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FLXBGGNDSKKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-13-16-3-1-9(17-13)11-7-8-10(18(11)5-6-19)2-4-15-12(8)20/h1,3,7,19H,2,4-6H2,(H,15,20)(H2,14,16,17).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 273.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).