(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one

C14H18N2O — CID 145461483

IUPAC(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one
SMILESC=C1N[C@](C)(c2ccc(C)cc2)CC(=O)N1C
InChIInChI=1S/C14H18N2O/c1-10-5-7-12(8-6-10)14(3)9-13(17)16(4)11(2)15-14/h5-8,15H,2,9H2,1,3-4H3/t14-/m0/s1
InChIKeyFWMULFVTDXQSAB-AWEZNQCLSA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds1

About (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one

(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one (PubChem CID 145461483) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one
PubChem CID145461483
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one
SMILESC=C1N[C@](C)(c2ccc(C)cc2)CC(=O)N1C
InChIInChI=1S/C14H18N2O/c1-10-5-7-12(8-6-10)14(3)9-13(17)16(4)11(2)15-14/h5-8,15H,2,9H2,1,3-4H3/t14-/m0/s1
InChIKeyFWMULFVTDXQSAB-AWEZNQCLSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-3,6-dimethyl-2-methylidene-6-(8-prop-1-ynyldibenzothiophen-2-yl)-1,3-diazinan-4-one
CID 135226612
4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
(6S)-6-(3-chloro-8-prop-1-ynyldibenzothiophen-2-yl)-3,6-dimethyl-2-methylidene-1,3-diazinan-4-one
CID 135226614
4-(4-tert-butylphenyl)-4-methylazetidin-2-one
CID 64665350
(4S)-1,4-dimethyl-2,6-dimethylidene-4-[3-(3-methylphenyl)-2H-pyrrol-5-yl]-1,3-diazinane
CID 145462110
1',5-dimethyl-2'-methylidenespiro[1,3-dihydroindene-2,5'-imidazolidine]-4'-one
CID 145495514
2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one
CID 122362681
4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 118493270
2,2-dichloro-3-methyl-3-(4-methylphenyl)cyclobutan-1-one
CID 11831622
3-amino-3-(4-methylphenyl)cyclobutan-1-one
CID 115014531
3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143365139
N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 125135902

Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one?
The IUPAC name of (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one (CID 145461483) is (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one.
What is the SMILES notation for (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one?
The canonical SMILES for (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one is C=C1N[C@](C)(c2ccc(C)cc2)CC(=O)N1C.
What is the InChIKey of (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one?
The InChIKey is FWMULFVTDXQSAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-7-12(8-6-10)14(3)9-13(17)16(4)11(2)15-14/h5-8,15H,2,9H2,1,3-4H3/t14-/m0/s1.
What are the key properties of (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one?
(6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-dimethyl-2-methylidene-6-(4-methylphenyl)-1,3-diazinan-4-one is sourced from PubChem (CID 145461483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).