3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C9H12N2O2 — CID 130943852

IUPAC3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCO)CCC2
InChIInChI=1S/C9H12N2O2/c12-5-4-11-6-10-8-3-1-2-7(8)9(11)13/h6,12H,1-5H2
InChIKeyOVWGAGNHQBHFLR-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.28
Rot. Bonds2

About 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 130943852) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID130943852
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCO)CCC2
InChIInChI=1S/C9H12N2O2/c12-5-4-11-6-10-8-3-1-2-7(8)9(11)13/h6,12H,1-5H2
InChIKeyOVWGAGNHQBHFLR-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-Hydroxyethyl)(methyl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135408992
3-(3-fluoro-2-hydroxypropyl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 165786912
3-(2-Hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589506
2-(4-Oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl)acetic acid
CID 71563741
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99824666
3-[(2R)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99839927
3-[(2S)-3-ethoxy-2-hydroxypropyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99839928
3-(3-ethoxy-2-hydroxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 121520605
3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130605363
3-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130622029
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130710730
2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 130744034

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 130943852) is 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is O=c1c2c(ncn1CCO)CCC2.
What is the InChIKey of 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is OVWGAGNHQBHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-5-4-11-6-10-8-3-1-2-7(8)9(11)13/h6,12H,1-5H2.
What are the key properties of 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 130943852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).