2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

C18H14Cl2N4O2 — CID 109269533

IUPAC2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3c(Cl)cccc3Cl)nc2)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-13-5-2-4-12(8-13)23-17(25)11-9-21-18(22-10-11)24-16-14(19)6-3-7-15(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyKXYHYGZTEXPYQX-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.79
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109269533) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109269533
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3c(Cl)cccc3Cl)nc2)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-26-13-5-2-4-12(8-13)23-17(25)11-9-21-18(22-10-11)24-16-14(19)6-3-7-15(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyKXYHYGZTEXPYQX-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

N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (CID 109269533) is 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(Nc3c(Cl)cccc3Cl)nc2)c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is KXYHYGZTEXPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-13-5-2-4-12(8-13)23-17(25)11-9-21-18(22-10-11)24-16-14(19)6-3-7-15(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-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 2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).