2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

C33H37N3O4 — CID 5037147

IUPAC2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C(C(=O)OCC(C)C)=C1C
InChIInChI=1S/C33H37N3O4/c1-5-20-36-23(4)28(32(38)40-21-22(2)3)30(35-33(36)39)26-16-18-27(19-17-26)34-31(37)29(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,29-30H,5,20-21H2,1-4H3,(H,34,37)(H,35,39)
InChIKeyLKJAMUAKIVMGCR-UHFFFAOYSA-N
MW539.68 g/mol
LogP6.41
Rot. Bonds10

About 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 5037147) has the molecular formula C33H37N3O4 and a molecular weight of 539.68 g/mol. Its IUPAC name is 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID5037147
Molecular FormulaC33H37N3O4
Molecular Weight539.68 g/mol
Exact Mass539.28
IUPAC Name2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C(C(=O)OCC(C)C)=C1C
InChIInChI=1S/C33H37N3O4/c1-5-20-36-23(4)28(32(38)40-21-22(2)3)30(35-33(36)39)26-16-18-27(19-17-26)34-31(37)29(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,29-30H,5,20-21H2,1-4H3,(H,34,37)(H,35,39)
InChIKeyLKJAMUAKIVMGCR-UHFFFAOYSA-N
XLogP6.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-methylpropyl 6-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 3535658
2-methylpropyl 4-methyl-2-oxo-6-[3-(2-phenylbutanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661272
2-methoxyethyl 4-methyl-2-oxo-6-[4-(2-phenylbutanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661035
2-methylpropyl 4-methyl-6-[4-[(3-nitrobenzoyl)amino]phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 3909520
2-methylpropyl 4-methyl-6-[3-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661679
2-methylpropyl 6-[3-(ethylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 5227089
2-methylpropyl (6R)-6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098850
2-methylpropyl 6-[3-[(2-fluorobenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756614
2-methylpropyl 4-methyl-6-[4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661086
2-methylpropyl (6S)-6-[3-[(2,2-diphenylacetyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 93101689
propan-2-yl 6-[4-[(2-bromophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661546
2-methylpropyl 6-[3-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661687

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 5037147) is 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCN1C(=O)NC(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C(C(=O)OCC(C)C)=C1C.
What is the InChIKey of 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is LKJAMUAKIVMGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O4/c1-5-20-36-23(4)28(32(38)40-21-22(2)3)30(35-33(36)39)26-16-18-27(19-17-26)34-31(37)29(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,22,29-30H,5,20-21H2,1-4H3,(H,34,37)(H,35,39).
What are the key properties of 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 539.68 g/mol, XLogP of 6.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 5037147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).