1-propan-2-yl-4,5-dihydropyrimidin-6-one

C7H12N2O — CID 20785819

IUPAC1-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC(C)N1C=NCCC1=O
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-8-4-3-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyOQXHANDNANNBGM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds1

About 1-propan-2-yl-4,5-dihydropyrimidin-6-one

1-propan-2-yl-4,5-dihydropyrimidin-6-one (PubChem CID 20785819) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dihydropyrimidin-6-one
PubChem CID20785819
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC(C)N1C=NCCC1=O
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-8-4-3-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyOQXHANDNANNBGM-UHFFFAOYSA-N
XLogP0.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 14109947
4-methyl-1-propyl-4H-imidazol-5-one
CID 20098184
4-methyl-1-propan-2-yl-4H-imidazol-5-one
CID 20098190
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1-Methyl-4,5-dihydropyrimidin-6-one
CID 54061083
1-Ethyl-4,5-dihydropyrimidin-6-one
CID 57720770
3-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 59104104
3-Tert-butyl-4,5-dihydropyrimidin-6-one
CID 59765873
1,4-Dimethyl-4,5-dihydropyrimidin-6-one
CID 69072650
3-Ethyl-4,5-dihydropyrimidin-6-one
CID 69299336
1-Ethyl-5-methylpyrimidine-4,6-dione
CID 89243801

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-propan-2-yl-4,5-dihydropyrimidin-6-one (CID 20785819) is 1-propan-2-yl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-propan-2-yl-4,5-dihydropyrimidin-6-one is CC(C)N1C=NCCC1=O.
What is the InChIKey of 1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The InChIKey is OQXHANDNANNBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-5-8-4-3-7(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-4,5-dihydropyrimidin-6-one?
1-propan-2-yl-4,5-dihydropyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 20785819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).