N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H14F3N3 — CID 10381898

IUPACN-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H14F3N3/c1-12-4-2-3-5-15(12)24-17-10-16(22-11-23-17)13-6-8-14(9-7-13)18(19,20)21/h2-11H,1H3,(H,22,23,24)
InChIKeyBYGSHIPSDXOLPH-UHFFFAOYSA-N
MW329.33 g/mol
LogP5.21
Rot. Bonds3

About N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10381898) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10381898
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC NameN-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C18H14F3N3/c1-12-4-2-3-5-15(12)24-17-10-16(22-11-23-17)13-6-8-14(9-7-13)18(19,20)21/h2-11H,1H3,(H,22,23,24)
InChIKeyBYGSHIPSDXOLPH-UHFFFAOYSA-N
XLogP5.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.33
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10381898) is N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is BYGSHIPSDXOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c1-12-4-2-3-5-15(12)24-17-10-16(22-11-23-17)13-6-8-14(9-7-13)18(19,20)21/h2-11H,1H3,(H,22,23,24).
What are the key properties of N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 329.33 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10381898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).