6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C18H14Cl2N4O2 — CID 109358963

IUPAC6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-15-4-2-13(3-5-15)24-18(25)16-9-17(22-10-21-16)23-14-7-11(19)6-12(20)8-14/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyHWVUSCXMZNTIAI-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.79
Rot. Bonds5

About 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358963) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358963
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-15-4-2-13(3-5-15)24-18(25)16-9-17(22-10-21-16)23-14-7-11(19)6-12(20)8-14/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyHWVUSCXMZNTIAI-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-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358963) is 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ncn2)cc1.
What is the InChIKey of 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is HWVUSCXMZNTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-15-4-2-13(3-5-15)24-18(25)16-9-17(22-10-21-16)23-14-7-11(19)6-12(20)8-14/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(3,5-dichloroanilino)-N-(4-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-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).