(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H21ClN4O5 — CID 1302475

IUPAC(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OCC(N)=O
InChIInChI=1S/C21H21ClN4O5/c1-11-18(20(28)25-14-6-4-3-5-13(14)22)19(26-21(29)24-11)12-7-8-15(30-2)16(9-12)31-10-17(23)27/h3-9,19H,10H2,1-2H3,(H2,23,27)(H,25,28)(H2,24,26,29)/t19-/m1/s1
InChIKeyRFGZJONQABOTFQ-LJQANCHMSA-N
MW444.88 g/mol
LogP2.48
Rot. Bonds7

About (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 1302475) has the molecular formula C21H21ClN4O5 and a molecular weight of 444.88 g/mol. Its IUPAC name is (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID1302475
Molecular FormulaC21H21ClN4O5
Molecular Weight444.88 g/mol
Exact Mass444.12
IUPAC Name(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OCC(N)=O
InChIInChI=1S/C21H21ClN4O5/c1-11-18(20(28)25-14-6-4-3-5-13(14)22)19(26-21(29)24-11)12-7-8-15(30-2)16(9-12)31-10-17(23)27/h3-9,19H,10H2,1-2H3,(H2,23,27)(H,25,28)(H2,24,26,29)/t19-/m1/s1
InChIKeyRFGZJONQABOTFQ-LJQANCHMSA-N
XLogP2.48
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide 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

N-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935233
4-(3-methoxy-4-methylphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23825573
N-(2-chlorophenyl)-4-(4-hydroxy-3-iodophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980706
(4S)-4-(4-bromophenyl)-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1352632
4-(3-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2873772
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2873512
(4S)-N-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124503
(4S)-N-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124508
(4R)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114807
(4S)-4-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158662
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277
(4R)-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 26860630

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 1302475) is (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OCC(N)=O.
What is the InChIKey of (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RFGZJONQABOTFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21ClN4O5/c1-11-18(20(28)25-14-6-4-3-5-13(14)22)19(26-21(29)24-11)12-7-8-15(30-2)16(9-12)31-10-17(23)27/h3-9,19H,10H2,1-2H3,(H2,23,27)(H,25,28)(H2,24,26,29)/t19-/m1/s1.
What are the key properties of (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 1302475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).