N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide

C19H16ClFN4O2 — CID 109336845

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-7-8-17(27-2)15(20)10-14)25-19(22-11)24-13-5-3-12(21)4-6-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUZGFKXWEHGCDBH-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336845) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336845
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)cc1Cl
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-7-8-17(27-2)15(20)10-14)25-19(22-11)24-13-5-3-12(21)4-6-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUZGFKXWEHGCDBH-UHFFFAOYSA-N
XLogP4.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
2-(3-chloro-4-methoxyanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335958
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336903
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
2-[4-(dimethylamino)anilino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336925
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide (CID 109336845) is N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)cc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is UZGFKXWEHGCDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-9-16(18(26)23-14-7-8-17(27-2)15(20)10-14)25-19(22-11)24-13-5-3-12(21)4-6-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).