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

C18H13F3N4O — CID 109305603

IUPACN-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F3N4O/c19-12-3-1-11(2-4-12)10-23-18-22-8-7-16(25-18)17(26)24-15-6-5-13(20)9-14(15)21/h1-9H,10H2,(H,24,26)(H,22,23,25)
InChIKeyPUMXZWVDQGLGHL-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.76
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109305603) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109305603
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC NameN-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F3N4O/c19-12-3-1-11(2-4-12)10-23-18-22-8-7-16(25-18)17(26)24-15-6-5-13(20)9-14(15)21/h1-9H,10H2,(H,24,26)(H,22,23,25)
InChIKeyPUMXZWVDQGLGHL-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306600
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305549
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109305603) is N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccnc(NCc2ccc(F)cc2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is PUMXZWVDQGLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-12-3-1-11(2-4-12)10-23-18-22-8-7-16(25-18)17(26)24-15-6-5-13(20)9-14(15)21/h1-9H,10H2,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).