N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C19H16ClFN4O2 — CID 109337357

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(F)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-17(18(26)23-13-5-8-16(21)15(20)10-13)25-19(22-11)24-12-3-6-14(27-2)7-4-12/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyVWYYWNPRVYPMKP-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337357) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337357
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(F)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-11-9-17(18(26)23-13-5-8-16(21)15(20)10-13)25-19(22-11)24-12-3-6-14(27-2)7-4-12/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyVWYYWNPRVYPMKP-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

2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336845
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109337344
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337357) is N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3ccc(F)c(Cl)c3)n2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VWYYWNPRVYPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-9-17(18(26)23-13-5-8-16(21)15(20)10-13)25-19(22-11)24-12-3-6-14(27-2)7-4-12/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-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-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).