4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide

C28H27Cl2N3O — CID 20758893

IUPAC4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=NC(c2cc(Cl)cc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(C)N1
InChIInChI=1S/C28H27Cl2N3O/c1-18-26(27(33-19(2)32-18)22-15-23(29)17-24(30)16-22)28(34)31-14-13-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,27H,13-14H2,1-2H3,(H,31,34)(H,32,33)
InChIKeySORBELPQQYGOKP-UHFFFAOYSA-N
MW492.45 g/mol
LogP6.67
Rot. Bonds7

About 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide

4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 20758893) has the molecular formula C28H27Cl2N3O and a molecular weight of 492.45 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID20758893
Molecular FormulaC28H27Cl2N3O
Molecular Weight492.45 g/mol
Exact Mass491.15
IUPAC Name4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=NC(c2cc(Cl)cc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(C)N1
InChIInChI=1S/C28H27Cl2N3O/c1-18-26(27(33-19(2)32-18)22-15-23(29)17-24(30)16-22)28(34)31-14-13-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,27H,13-14H2,1-2H3,(H,31,34)(H,32,33)
InChIKeySORBELPQQYGOKP-UHFFFAOYSA-N
XLogP6.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide with MolForge

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Related Compounds

ethyl 4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 20758925
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
2-(2-aminoethoxymethyl)-4-(3-chlorophenyl)-5-cyano-N-(3,3-diphenylpropyl)-6-methyl-1,4-dihydropyridine-3-carboxamide
CID 23001192
2-(2-chloroethoxymethyl)-4-(3-chlorophenyl)-5-cyano-N-(3,3-diphenylpropyl)-6-methyl-1,4-dihydropyridine-3-carboxamide
CID 23001148
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
6-(2-aminoethoxy)-4-(3-chlorophenyl)-5-(3,3-diphenylpropylcarbamoyl)-1,2-dimethyl-4H-pyridine-3-carboxylic acid
CID 69069480
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42696880

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide (CID 20758893) is 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide is CC1=NC(c2cc(Cl)cc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(C)N1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is SORBELPQQYGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O/c1-18-26(27(33-19(2)32-18)22-15-23(29)17-24(30)16-22)28(34)31-14-13-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,27H,13-14H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 492.45 g/mol, XLogP of 6.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-(3,3-diphenylpropyl)-2,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 20758893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).