1,2,5-trimethyl-4,5-dihydropyrimidin-6-one

C7H12N2O — CID 123962511

IUPAC1,2,5-trimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCC(C)C(=O)N1C
InChIInChI=1S/C7H12N2O/c1-5-4-8-6(2)9(3)7(5)10/h5H,4H2,1-3H3
InChIKeyTYSQBGGQOVYFJW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.51
Rot. Bonds

About 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one

1,2,5-trimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 123962511) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1,2,5-trimethyl-4,5-dihydropyrimidin-6-one
PubChem CID123962511
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1,2,5-trimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCC(C)C(=O)N1C
InChIInChI=1S/C7H12N2O/c1-5-4-8-6(2)9(3)7(5)10/h5H,4H2,1-3H3
InChIKeyTYSQBGGQOVYFJW-UHFFFAOYSA-N
XLogP0.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.51
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
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
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
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
1-Ethyl-4,5-dihydropyrimidin-6-one
CID 57720770
2-Propan-2-yl-4,5-dihydropyrimidin-1-id-6-one;rhodium
CID 59872620
1-Ethyl-5-methylpyrimidine-4,6-dione
CID 89243801
1,5-Dimethyl-4,5-dihydropyrimidin-6-one
CID 89495232

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one (CID 123962511) is 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one is CC1=NCC(C)C(=O)N1C.
What is the InChIKey of 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is TYSQBGGQOVYFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-8-6(2)9(3)7(5)10/h5H,4H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one?
1,2,5-trimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 123962511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).