6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 112849522

IUPAC6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c1-4-26(16-8-6-5-7-9-16)21(27)18-13-20(24-14(2)23-18)25-15-10-11-19(28-3)17(22)12-15/h5-13H,4H2,1-3H3,(H,23,24,25)
InChIKeyYKVXNSVSGNRAFX-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.86
Rot. Bonds6

About 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide

6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112849522) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112849522
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c1-4-26(16-8-6-5-7-9-16)21(27)18-13-20(24-14(2)23-18)25-15-10-11-19(28-3)17(22)12-15/h5-13H,4H2,1-3H3,(H,23,24,25)
InChIKeyYKVXNSVSGNRAFX-UHFFFAOYSA-N
XLogP4.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
CID 108968333

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 112849522) is 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1)c1ccccc1.
What is the InChIKey of 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is YKVXNSVSGNRAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-4-26(16-8-6-5-7-9-16)21(27)18-13-20(24-14(2)23-18)25-15-10-11-19(28-3)17(22)12-15/h5-13H,4H2,1-3H3,(H,23,24,25).
What are the key properties of 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).