6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one

C10H14N2O — CID 130056102

IUPAC6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O/c1-6(2)8-5-9(7-3-4-7)12-10(13)11-8/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyDJFJDRRPORKEMF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.77
Rot. Bonds2

About 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one

6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 130056102) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one
PubChem CID130056102
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O/c1-6(2)8-5-9(7-3-4-7)12-10(13)11-8/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyDJFJDRRPORKEMF-UHFFFAOYSA-N
XLogP1.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclopropyl-6-methylpyrimidin-2(1H)-one
CID 19804694
4-Cyclopropyl-1,2-dihydropyrimidin-2-one
CID 49758449
4,6-Diisopropylpyrimidine-2-ol
CID 59336135
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
4-cyclopropyl-5-fluoro-6-methyl-1H-pyrimidin-2-one
CID 143883702
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172
Diallyl pyrimidinone
CID 129859956
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
2-Hydroxy-6-cyclopropyl-4-(trifluoromethyl)pyrimidine
CID 66545639
2-Hydroxy-4,6-di(tert-butyl)pyrimidine
CID 12280557
4-cyclopropyl-6-methyl-1H-pyrimidin-2-one;hydrochloride
CID 19804693
4-cyclopropyl-3H-quinazolin-2-one
CID 54258117

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one (CID 130056102) is 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1cc(C2CC2)[nH]c(=O)n1.
What is the InChIKey of 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is DJFJDRRPORKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6(2)8-5-9(7-3-4-7)12-10(13)11-8/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one?
6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 130056102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).