N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

C18H13ClF2N4O — CID 109358468

IUPACN-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H13ClF2N4O/c1-10-6-11(19)2-4-14(10)25-18(26)16-8-17(23-9-22-16)24-15-5-3-12(20)7-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyBIGURVYHWQMMHX-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.71
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109358468) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109358468
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC NameN-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C18H13ClF2N4O/c1-10-6-11(19)2-4-14(10)25-18(26)16-8-17(23-9-22-16)24-15-5-3-12(20)7-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyBIGURVYHWQMMHX-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-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
6-(4-chloro-2-methylanilino)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109358426

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide (CID 109358468) is N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(F)cc2F)ncn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is BIGURVYHWQMMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c1-10-6-11(19)2-4-14(10)25-18(26)16-8-17(23-9-22-16)24-15-5-3-12(20)7-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)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 N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).