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

C18H14Cl2N4O2 — CID 109358871

IUPAC6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3c(Cl)cccc3Cl)ncn2)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-12-5-2-4-11(8-12)23-18(25)15-9-16(22-10-21-15)24-17-13(19)6-3-7-14(17)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyAHISSPUILHFJLI-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.79
Rot. Bonds5

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

6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358871) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358871
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3c(Cl)cccc3Cl)ncn2)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-12-5-2-4-11(8-12)23-18(25)15-9-16(22-10-21-15)24-17-13(19)6-3-7-14(17)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyAHISSPUILHFJLI-UHFFFAOYSA-N
XLogP4.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358578
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
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269533
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358871) is 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(Nc3c(Cl)cccc3Cl)ncn2)c1.
What is the InChIKey of 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is AHISSPUILHFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-12-5-2-4-11(8-12)23-18(25)15-9-16(22-10-21-15)24-17-13(19)6-3-7-14(17)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).