2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

C7H12N2O — CID 22898627

IUPAC2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)C1=NCCC(=O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyUATDKIFUUKPTLE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.56
Rot. Bonds1

About 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 22898627) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID22898627
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)C1=NCCC(=O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyUATDKIFUUKPTLE-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)acetamide
CID 22056455
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765868
2-Propan-2-yl-4,5-dihydropyrimidin-1-id-6-one;rhodium
CID 59872620
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 22898627) is 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is CC(C)C1=NCCC(=O)N1.
What is the InChIKey of 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is UATDKIFUUKPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)7-8-4-3-6(10)9-7/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 22898627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).