N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

C19H16ClFN4O — CID 112848502

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H16ClFN4O/c1-12-22-17(19(26)24-13-8-9-16(21)15(20)10-13)11-18(23-12)25(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,26)
InChIKeyLDLOSPCGOUXBIN-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112848502) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID112848502
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H16ClFN4O/c1-12-22-17(19(26)24-13-8-9-16(21)15(20)10-13)11-18(23-12)25(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,26)
InChIKeyLDLOSPCGOUXBIN-UHFFFAOYSA-N
XLogP4.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)anilino]-6-methylpyrimidine-4-carboxamide
CID 109337360

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 112848502) is N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cc(N(C)c2ccccc2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is LDLOSPCGOUXBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-22-17(19(26)24-13-8-9-16(21)15(20)10-13)11-18(23-12)25(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).