6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C18H13ClF2N4O — CID 109358388

IUPAC6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C18H13ClF2N4O/c1-10-5-6-11(19)7-14(10)24-16-8-15(22-9-23-16)18(26)25-17-12(20)3-2-4-13(17)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyFKCMGEIVDLKFCL-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.71
Rot. Bonds4

About 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109358388) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109358388
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C18H13ClF2N4O/c1-10-5-6-11(19)7-14(10)24-16-8-15(22-9-23-16)18(26)25-17-12(20)3-2-4-13(17)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyFKCMGEIVDLKFCL-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913
6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338945
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348442
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 109358388) is 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1Nc1cc(C(=O)Nc2c(F)cccc2F)ncn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is FKCMGEIVDLKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c1-10-5-6-11(19)7-14(10)24-16-8-15(22-9-23-16)18(26)25-17-12(20)3-2-4-13(17)21/h2-9H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).