methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate

C26H32N4O4 — CID 42661730

IUPACmethyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(C(C)C)cc3)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C26H32N4O4/c1-6-14-30-17(4)22(24(31)34-5)23(29-26(30)33)19-8-7-9-21(15-19)28-25(32)27-20-12-10-18(11-13-20)16(2)3/h7-13,15-16,23H,6,14H2,1-5H3,(H,29,33)(H2,27,28,32)
InChIKeyBZWXZTBQEWXNRM-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.38
Rot. Bonds7

About methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate

methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42661730) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID42661730
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Namemethyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(C(C)C)cc3)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C26H32N4O4/c1-6-14-30-17(4)22(24(31)34-5)23(29-26(30)33)19-8-7-9-21(15-19)28-25(32)27-20-12-10-18(11-13-20)16(2)3/h7-13,15-16,23H,6,14H2,1-5H3,(H,29,33)(H2,27,28,32)
InChIKeyBZWXZTBQEWXNRM-UHFFFAOYSA-N
XLogP5.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 42661730) is methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(C(C)C)cc3)c2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is BZWXZTBQEWXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-6-14-30-17(4)22(24(31)34-5)23(29-26(30)33)19-8-7-9-21(15-19)28-25(32)27-20-12-10-18(11-13-20)16(2)3/h7-13,15-16,23H,6,14H2,1-5H3,(H,29,33)(H2,27,28,32).
What are the key properties of methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-oxo-6-[3-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42661730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).