(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one

C6H10N2O — CID 93499476

IUPAC(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
SMILESC[C@H]1NC=CC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-5,7H,1-2H3/t5-/m0/s1
InChIKeyGWNYQWIXDKJVOI-YFKPBYRVSA-N
MW126.16 g/mol
LogP-0.09
Rot. Bonds

About (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one

(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one (PubChem CID 93499476) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
PubChem CID93499476
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
SMILESC[C@H]1NC=CC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-5,7H,1-2H3/t5-/m0/s1
InChIKeyGWNYQWIXDKJVOI-YFKPBYRVSA-N
XLogP-0.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
2-methyl-1,2,3,4-tetrahydroazepin-5-one
CID 55286646
1-methyl-2-propyl-2H-pyrrol-5-one
CID 171490709
2,3-dimethyl-1,2-dihydroimidazole;propane
CID 175008278
2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one
CID 142032515
1,3,3,5-tetramethylpyrrolidine-2,4-dione
CID 175274212
(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
CID 67313284
(3S,4R)-1,3,4-trimethylazetidin-2-one
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2-ethyl-2,3-dihydro-1H-pyridin-4-one
CID 55300096

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one?
The IUPAC name of (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one (CID 93499476) is (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one?
The canonical SMILES for (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one is C[C@H]1NC=CC(=O)N1C.
What is the InChIKey of (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one?
The InChIKey is GWNYQWIXDKJVOI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-5,7H,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one?
(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one has a molecular weight of 126.16 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 93499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).