3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C9H12N2O — CID 130710730

IUPAC3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2O/c1-2-11-6-10-8-5-3-4-7(8)9(11)12/h6H,2-5H2,1H3
InChIKeyUESVAFYVQDEUDN-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.75
Rot. Bonds1

About 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 130710730) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID130710730
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H12N2O/c1-2-11-6-10-8-5-3-4-7(8)9(11)12/h6H,2-5H2,1H3
InChIKeyUESVAFYVQDEUDN-UHFFFAOYSA-N
XLogP0.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno
CID 523980
4-Pyrimidinol, 5-butyl-6-methyl-
CID 135704114
Pyrido-pyrimidinone analog (rings=565)
CID 523977
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
CID 135431340
2-Amino-5-butyl-3-ethyl-6-methylpyrimidin-4(3H)-one
CID 13191402
3-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)propanamide
CID 132306525
N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 136532114
3-Hexyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239521
3-(2-Methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239522
trifluoro-[(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)methyl]boranuide
CID 133676857

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 130710730) is 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is UESVAFYVQDEUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-11-6-10-8-5-3-4-7(8)9(11)12/h6H,2-5H2,1H3.
What are the key properties of 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 130710730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).