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

C8H14N2O — CID 143048711

IUPAC2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)9-5-4-8(10)11/h6H,4-5H2,1-3H3
InChIKeyFVQGZVPJZHJXIO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.05
Rot. Bonds1

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

2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one (PubChem CID 143048711) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one
PubChem CID143048711
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1C(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)10-7(3)9-5-4-8(10)11/h6H,4-5H2,1-3H3
InChIKeyFVQGZVPJZHJXIO-UHFFFAOYSA-N
XLogP1.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
2,3,4,5-Tetramethyl-4,5-dihydropyrimidin-6-one
CID 20647141
3-(dimethylamino)-N-methyl-3-methylimino-N-propan-2-ylpropanamide
CID 20672147
1,2,4,5-Tetramethyl-4,5-dihydropyrimidin-6-one
CID 20695500
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Methyl-2-propyl-4,5-dihydropyrimidin-6-one
CID 20707765
1-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 20785819
2,3-Dimethyl-4,5-dihydropyrimidin-6-one
CID 21341299
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1,2-Dimethylpyrimidine-4,6-dione
CID 54491245
1-Ethyl-4,5-dihydropyrimidin-6-one
CID 57720770
3-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 59104104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one (CID 143048711) is 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one is CC1=NCCC(=O)N1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one?
The InChIKey is FVQGZVPJZHJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)10-7(3)9-5-4-8(10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one?
2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 143048711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).