4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one

C19H18N2O2 — CID 46833551

IUPAC4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one
SMILESCc1ccc(C2NC(=O)NC3=C2COc2ccccc23)cc1C
InChIInChI=1S/C19H18N2O2/c1-11-7-8-13(9-12(11)2)17-15-10-23-16-6-4-3-5-14(16)18(15)21-19(22)20-17/h3-9,17H,10H2,1-2H3,(H2,20,21,22)
InChIKeyCUAJVIMDRAOKBO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.46
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one

4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one (PubChem CID 46833551) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one
PubChem CID46833551
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one
SMILESCc1ccc(C2NC(=O)NC3=C2COc2ccccc23)cc1C
InChIInChI=1S/C19H18N2O2/c1-11-7-8-13(9-12(11)2)17-15-10-23-16-6-4-3-5-14(16)18(15)21-19(22)20-17/h3-9,17H,10H2,1-2H3,(H2,20,21,22)
InChIKeyCUAJVIMDRAOKBO-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4,5-trimethylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 46830943
4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 46834133
4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 17324314
4-(4-fluoro-3-methoxyphenyl)-1,3,4,5-tetrahydrothiochromeno[4,3-d]pyrimidin-2-one
CID 46834979
ethyl 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102414677
4-(3-bromo-4-methoxyphenyl)-1,3,4,5-tetrahydrothiochromeno[4,3-d]pyrimidin-2-one
CID 46834973
propan-2-yl 4-[4-(3,4-dimethylphenoxy)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844941
methyl 4-(4-methyl-3-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842869
4-(3-bromo-4-methoxyphenyl)-2-oxo-1,3,4,5-tetrahydropyrimido[5,4-c]quinoline-6-carbaldehyde
CID 88571223
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742
4-(3-bromo-4-methoxyphenyl)-6-methylsulfonyl-1,3,4,5-tetrahydropyrimido[5,4-c]quinolin-2-one
CID 46831548
6,18-dimethyl-12-methylidene-10,14,29,32,35,38-hexaoxa-3,21-diazapentacyclo[37.4.0.04,9.015,20.023,28]tritetraconta-1(43),4(9),5,7,15(20),16,18,23,25,27,39,41-dodecaene-2,22-dione
CID 11114961

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one (CID 46833551) is 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one is Cc1ccc(C2NC(=O)NC3=C2COc2ccccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one?
The InChIKey is CUAJVIMDRAOKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-7-8-13(9-12(11)2)17-15-10-23-16-6-4-3-5-14(16)18(15)21-19(22)20-17/h3-9,17H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one?
4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 46833551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).