N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C17H12ClF3N4 — CID 1478458

IUPACN-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C17H12ClF3N4/c18-12-6-2-1-5-11(12)10-23-15-9-14(17(19,20)21)24-16(25-15)13-7-3-4-8-22-13/h1-9H,10H2,(H,23,24,25)
InChIKeyAUOSYUNBLMKPQB-UHFFFAOYSA-N
MW364.76 g/mol
LogP4.82
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 1478458) has the molecular formula C17H12ClF3N4 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID1478458
Molecular FormulaC17H12ClF3N4
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C17H12ClF3N4/c18-12-6-2-1-5-11(12)10-23-15-9-14(17(19,20)21)24-16(25-15)13-7-3-4-8-22-13/h1-9H,10H2,(H,23,24,25)
InChIKeyAUOSYUNBLMKPQB-UHFFFAOYSA-N
XLogP4.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 1478458) is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2ccccc2Cl)nc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AUOSYUNBLMKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4/c18-12-6-2-1-5-11(12)10-23-15-9-14(17(19,20)21)24-16(25-15)13-7-3-4-8-22-13/h1-9H,10H2,(H,23,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 364.76 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 1478458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).