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

C19H16ClFN4O — CID 112850219

IUPACN-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(F)c2)cc(C(=O)Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C19H16ClFN4O/c1-11-15(20)7-4-8-16(11)25-19(26)17-10-18(23-12(2)22-17)24-14-6-3-5-13(21)9-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyMIWWUVGRLKUUMW-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.88
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850219) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850219
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(F)c2)cc(C(=O)Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C19H16ClFN4O/c1-11-15(20)7-4-8-16(11)25-19(26)17-10-18(23-12(2)22-17)24-14-6-3-5-13(21)9-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyMIWWUVGRLKUUMW-UHFFFAOYSA-N
XLogP4.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850211
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
6-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850220
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369908
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849679
6-(3-chloro-2-methylanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850200

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 112850219) is N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(F)c2)cc(C(=O)Nc2cccc(Cl)c2C)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is MIWWUVGRLKUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-11-15(20)7-4-8-16(11)25-19(26)17-10-18(23-12(2)22-17)24-14-6-3-5-13(21)9-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).