6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109358578

IUPAC6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3Cl)ncn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-7-13(2)19(16(21)8-12)25-18-10-17(22-11-23-18)20(26)24-14-5-4-6-15(9-14)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyUNDHEGPNKLRXLH-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358578) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358578
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3Cl)ncn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-7-13(2)19(16(21)8-12)25-18-10-17(22-11-23-18)20(26)24-14-5-4-6-15(9-14)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyUNDHEGPNKLRXLH-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-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198726
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358578) is 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(Nc3c(C)cc(C)cc3Cl)ncn2)c1.
What is the InChIKey of 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is UNDHEGPNKLRXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-7-13(2)19(16(21)8-12)25-18-10-17(22-11-23-18)20(26)24-14-5-4-6-15(9-14)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)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-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).