6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109357128

IUPAC6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(C)cccc2C)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-4-6-13(2)19(12)25-20(26)16-10-18(23-11-22-16)24-15-9-14(21)7-8-17(15)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeySHUIJQTWCZBOOK-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357128) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109357128
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(C)cccc2C)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-4-6-13(2)19(12)25-20(26)16-10-18(23-11-22-16)24-15-9-14(21)7-8-17(15)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeySHUIJQTWCZBOOK-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

6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807
N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109357005
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
5-(5-chloro-2-methoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291850
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 109357128) is 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(C)cccc2C)ncn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is SHUIJQTWCZBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-5-4-6-13(2)19(12)25-20(26)16-10-18(23-11-22-16)24-15-9-14(21)7-8-17(15)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-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 6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).