N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C18H12F4N4O — CID 109348490

IUPACN-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)8-23-18(27)14-7-15(25-9-24-14)26-13-6-5-12(20)16(21)17(13)22/h1-7,9H,8H2,(H,23,27)(H,24,25,26)
InChIKeyDUMICAJFTPCUSC-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.71
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109348490) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109348490
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)8-23-18(27)14-7-15(25-9-24-14)26-13-6-5-12(20)16(21)17(13)22/h1-7,9H,8H2,(H,23,27)(H,24,25,26)
InChIKeyDUMICAJFTPCUSC-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348442
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109348490) is N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(Nc2ccc(F)c(F)c2F)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is DUMICAJFTPCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-11-3-1-10(2-4-11)8-23-18(27)14-7-15(25-9-24-14)26-13-6-5-12(20)16(21)17(13)22/h1-7,9H,8H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).