1,3-dimethyl-4H-pyrimidin-2-one

C6H10N2O — CID 15667203

IUPAC1,3-dimethyl-4H-pyrimidin-2-one
SMILESCN1C=CCN(C)C1=O
InChIInChI=1S/C6H10N2O/c1-7-4-3-5-8(2)6(7)9/h3-4H,5H2,1-2H3
InChIKeySFLZYXZRWZUTSC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.50
Rot. Bonds

About 1,3-dimethyl-4H-pyrimidin-2-one

1,3-dimethyl-4H-pyrimidin-2-one (PubChem CID 15667203) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,3-dimethyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4H-pyrimidin-2-one
PubChem CID15667203
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1,3-dimethyl-4H-pyrimidin-2-one
SMILESCN1C=CCN(C)C1=O
InChIInChI=1S/C6H10N2O/c1-7-4-3-5-8(2)6(7)9/h3-4H,5H2,1-2H3
InChIKeySFLZYXZRWZUTSC-UHFFFAOYSA-N
XLogP0.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethyl-4-thiouracil
CID 193842
1,3-Dimethylcytosine
CID 15895115
N-methyldihydro-2-pyrimidinone
CID 23121765
4-Amino-3-methyl-1,4-dihydropyrimidin-2-one
CID 55289347
Ethyl 3,4-dihydropyrimidinone
CID 67592206
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
1,1-Dimethyl-3-(2-methylprop-1-enyl)-3-prop-2-enylurea
CID 10012578
1,1-dimethyl-3,3-bis[(E)-prop-1-enyl]urea
CID 10464711
3,5-di[N-methyl]carbamoyl-1,4-dihydropyridine
CID 20552928
1-Methyl-3-trideuteriomethyl-4-thiouracil
CID 123714373
4-(dimethylamino)-1,3-dimethyl-4H-pyrimidin-2-one
CID 134897886
5,6-Dihydro-1,3,4-trimethyl-2(4H)-pyrimidinone
CID 89913

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4H-pyrimidin-2-one?
The IUPAC name of 1,3-dimethyl-4H-pyrimidin-2-one (CID 15667203) is 1,3-dimethyl-4H-pyrimidin-2-one.
What is the SMILES notation for 1,3-dimethyl-4H-pyrimidin-2-one?
The canonical SMILES for 1,3-dimethyl-4H-pyrimidin-2-one is CN1C=CCN(C)C1=O.
What is the InChIKey of 1,3-dimethyl-4H-pyrimidin-2-one?
The InChIKey is SFLZYXZRWZUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-7-4-3-5-8(2)6(7)9/h3-4H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-4H-pyrimidin-2-one?
1,3-dimethyl-4H-pyrimidin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4H-pyrimidin-2-one is sourced from PubChem (CID 15667203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).