(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C26H22Cl2N2O4 — CID 26860646

IUPAC(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H22Cl2N2O4/c1-15-23(25(31)16-7-10-19(27)11-8-16)24(30-26(32)29-15)17-9-12-21(22(13-17)33-2)34-14-18-5-3-4-6-20(18)28/h3-13,24H,14H2,1-2H3,(H2,29,30,32)/t24-/m1/s1
InChIKeyCTZJFNHGZZADQB-XMMPIXPASA-N
MW497.38 g/mol
LogP6.09
Rot. Bonds7

About (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 26860646) has the molecular formula C26H22Cl2N2O4 and a molecular weight of 497.38 g/mol. Its IUPAC name is (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID26860646
Molecular FormulaC26H22Cl2N2O4
Molecular Weight497.38 g/mol
Exact Mass496.10
IUPAC Name(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C26H22Cl2N2O4/c1-15-23(25(31)16-7-10-19(27)11-8-16)24(30-26(32)29-15)17-9-12-21(22(13-17)33-2)34-14-18-5-3-4-6-20(18)28/h3-13,24H,14H2,1-2H3,(H2,29,30,32)/t24-/m1/s1
InChIKeyCTZJFNHGZZADQB-XMMPIXPASA-N
XLogP6.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.38
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-5-benzoyl-4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 41114767
methyl 4-[[4-(5-benzoyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]methyl]benzoate
CID 3419495
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4102498
(4R)-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 26860630
2-methylpropyl 4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847254
ethyl 4-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846822
propyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846413
2-methylpropyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846415
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
ethyl 6-butyl-4-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846833
propan-2-yl 4-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846825
ethyl (4S)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1043052

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 26860646) is (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is CTZJFNHGZZADQB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H22Cl2N2O4/c1-15-23(25(31)16-7-10-19(27)11-8-16)24(30-26(32)29-15)17-9-12-21(22(13-17)33-2)34-14-18-5-3-4-6-20(18)28/h3-13,24H,14H2,1-2H3,(H2,29,30,32)/t24-/m1/s1.
What are the key properties of (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 497.38 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 26860646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).