6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C32H35Cl2N3O5 — CID 167827944

IUPAC6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)NC1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C32H35Cl2N3O5/c1-6-36(7-2)31(38)29-20(3)37(18-21-8-13-25(40-4)14-9-21)32(39)35-30(29)22-11-15-27(28(16-22)41-5)42-19-23-10-12-24(33)17-26(23)34/h8-17,30H,6-7,18-19H2,1-5H3,(H,35,39)
InChIKeyHLSPRZXFBIXJDS-UHFFFAOYSA-N
MW612.55 g/mol
LogP7.00
Rot. Bonds11

About 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 167827944) has the molecular formula C32H35Cl2N3O5 and a molecular weight of 612.55 g/mol. Its IUPAC name is 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID167827944
Molecular FormulaC32H35Cl2N3O5
Molecular Weight612.55 g/mol
Exact Mass611.20
IUPAC Name6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)NC1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C32H35Cl2N3O5/c1-6-36(7-2)31(38)29-20(3)37(18-21-8-13-25(40-4)14-9-21)32(39)35-30(29)22-11-15-27(28(16-22)41-5)42-19-23-10-12-24(33)17-26(23)34/h8-17,30H,6-7,18-19H2,1-5H3,(H,35,39)
InChIKeyHLSPRZXFBIXJDS-UHFFFAOYSA-N
XLogP7.00
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.55
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide with MolForge

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Related Compounds

methyl (6S)-3-benzyl-6-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1034003
benzyl 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71768429
methyl (6S)-3-benzyl-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1192374
methyl 3-benzyl-6-(3-ethoxy-4-phenylmethoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 23825882
methyl 4-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847696
ethyl (6S)-3-benzyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1300178
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294671
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-[(2S)-2-hydroxypropyl]azetidine-3-carboxamide
CID 176929925
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4102498
ethyl 3-benzyl-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 19656009
(4R)-5-(4-chlorobenzoyl)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 26860646
3-benzyl-6-(3,4-dimethoxyphenyl)-4-methyl-5-nitro-1,6-dihydropyrimidin-2-one
CID 21177711

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 167827944) is 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)NC1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is HLSPRZXFBIXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N3O5/c1-6-36(7-2)31(38)29-20(3)37(18-21-8-13-25(40-4)14-9-21)32(39)35-30(29)22-11-15-27(28(16-22)41-5)42-19-23-10-12-24(33)17-26(23)34/h8-17,30H,6-7,18-19H2,1-5H3,(H,35,39).
What are the key properties of 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 612.55 g/mol, XLogP of 7.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 167827944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).