2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109334311

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN4O2/c1-14-12-18(20(27)25-17-8-3-4-9-19(17)28-2)26-21(24-14)23-11-10-15-6-5-7-16(22)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUSLJYJPNNSZKAI-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334311) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109334311
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN4O2/c1-14-12-18(20(27)25-17-8-3-4-9-19(17)28-2)26-21(24-14)23-11-10-15-6-5-7-16(22)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyUSLJYJPNNSZKAI-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-(2,3-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334305
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109324949
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331038
N-[2-(3-chlorophenyl)ethyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325463
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109334311) is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(C)nc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is USLJYJPNNSZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-12-18(20(27)25-17-8-3-4-9-19(17)28-2)26-21(24-14)23-11-10-15-6-5-7-16(22)13-15/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).