N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C23H27N3O5 — CID 658938

IUPACN-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-12-8-7-9-16(13(12)2)25-22(27)19-14(3)24-23(28)26-20(19)15-10-17(29-4)21(31-6)18(11-15)30-5/h7-11,20H,1-6H3,(H,25,27)(H2,24,26,28)
InChIKeyFHZULVPZEUCLDY-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.60
Rot. Bonds6

About N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 658938) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID658938
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-12-8-7-9-16(13(12)2)25-22(27)19-14(3)24-23(28)26-20(19)15-10-17(29-4)21(31-6)18(11-15)30-5/h7-11,20H,1-6H3,(H,25,27)(H2,24,26,28)
InChIKeyFHZULVPZEUCLDY-UHFFFAOYSA-N
XLogP3.60
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 658690
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CID 659135
3,4,5-triethoxy-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
CID 665151
[4-(2,3-Dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 1262756
9,9-Dimethyl-5-(2-methylpropanoyl)-6-(3,4,5-trimethoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2874649
3-propyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 2888615
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 3707929
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CID 49862041
4-(4-methoxyphenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone
CID 49862042
1-(3,4-Dimethylphenyl)-3-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536689
1-(3,4-Dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536693
3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 2864948

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 658938) is N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is FHZULVPZEUCLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-12-8-7-9-16(13(12)2)25-22(27)19-14(3)24-23(28)26-20(19)15-10-17(29-4)21(31-6)18(11-15)30-5/h7-11,20H,1-6H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 658938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).