2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109265367

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-16(12)24-19(26)14-10-22-20(23-11-14)25-17-8-13(2)15(21)9-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNWKCFMGDPHDRLJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265367) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265367
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-16(12)24-19(26)14-10-22-20(23-11-14)25-17-8-13(2)15(21)9-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyNWKCFMGDPHDRLJ-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[5-[(2-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265338
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270671
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248614
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265367) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is COc1cc(Cl)c(C)cc1Nc1ncc(C(=O)Nc2ccccc2C)cn1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is NWKCFMGDPHDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-16(12)24-19(26)14-10-22-20(23-11-14)25-17-8-13(2)15(21)9-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).