N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide

C19H17FN4O — CID 109356901

IUPACN-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3cccc(F)c3)ncn2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-7-13(2)16(8-12)24-19(25)17-10-18(22-11-21-17)23-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyITPSCTNBFOGSGC-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.23
Rot. Bonds4

About N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide

N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109356901) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109356901
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3cccc(F)c3)ncn2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-7-13(2)16(8-12)24-19(25)17-10-18(22-11-21-17)23-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyITPSCTNBFOGSGC-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109198040
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide (CID 109356901) is N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(Nc3cccc(F)c3)ncn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is ITPSCTNBFOGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-6-7-13(2)16(8-12)24-19(25)17-10-18(22-11-21-17)23-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).