4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine

C17H12ClF3N4 — CID 70671577

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Cl)c(C(F)(F)F)c2)c1-c1cccnc1
InChIInChI=1S/C17H12ClF3N4/c1-9-14(11-3-2-6-23-8-11)15(25-16(22)24-9)10-4-5-13(18)12(7-10)17(19,20)21/h2-8H,1H3,(H2,22,24,25)
InChIKeyJDRXYOADTSZAAO-UHFFFAOYSA-N
MW364.76 g/mol
LogP4.77
Rot. Bonds2

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine

4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine (PubChem CID 70671577) has the molecular formula C17H12ClF3N4 and a molecular weight of 364.76 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
PubChem CID70671577
Molecular FormulaC17H12ClF3N4
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Cl)c(C(F)(F)F)c2)c1-c1cccnc1
InChIInChI=1S/C17H12ClF3N4/c1-9-14(11-3-2-6-23-8-11)15(25-16(22)24-9)10-4-5-13(18)12(7-10)17(19,20)21/h2-8H,1H3,(H2,22,24,25)
InChIKeyJDRXYOADTSZAAO-UHFFFAOYSA-N
XLogP4.77
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine (CID 70671577) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine is Cc1nc(N)nc(-c2ccc(Cl)c(C(F)(F)F)c2)c1-c1cccnc1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is JDRXYOADTSZAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4/c1-9-14(11-3-2-6-23-8-11)15(25-16(22)24-9)10-4-5-13(18)12(7-10)17(19,20)21/h2-8H,1H3,(H2,22,24,25).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 364.76 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-5-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70671577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).