N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C18H15F3N4 — CID 21304987

IUPACN-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H15F3N4/c1-11-3-4-12(2)14(9-11)23-16-10-15(18(19,20)21)24-17(25-16)13-5-7-22-8-6-13/h3-10H,1-2H3,(H,23,24,25)
InChIKeyVLJOBPKSLPWYGZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.92
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 21304987) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID21304987
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C18H15F3N4/c1-11-3-4-12(2)14(9-11)23-16-10-15(18(19,20)21)24-17(25-16)13-5-7-22-8-6-13/h3-10H,1-2H3,(H,23,24,25)
InChIKeyVLJOBPKSLPWYGZ-UHFFFAOYSA-N
XLogP4.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 21304987) is N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(C)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VLJOBPKSLPWYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c1-11-3-4-12(2)14(9-11)23-16-10-15(18(19,20)21)24-17(25-16)13-5-7-22-8-6-13/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 344.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 21304987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).