N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide

C20H19FN4O — CID 109305549

IUPACN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)n2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)24-19(26)18-10-11-22-20(25-18)23-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyARZCXBDTWPNIIY-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.10
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109305549) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109305549
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)n2)c1C
InChIInChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)24-19(26)18-10-11-22-20(25-18)23-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyARZCXBDTWPNIIY-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119458
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188780
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109305549) is N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(NCc3ccc(F)cc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is ARZCXBDTWPNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-4-3-5-17(14(13)2)24-19(26)18-10-11-22-20(25-18)23-12-15-6-8-16(21)9-7-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).