6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C13H11ClF3N3 — CID 63729328

IUPAC6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(Cl)c2C)cc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c1-7-3-4-9(5-10(7)13(15,16)17)20-12-8(2)11(14)18-6-19-12/h3-6H,1-2H3,(H,18,19,20)
InChIKeyRHQDDDJHCZYZDX-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.51
Rot. Bonds2

About 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 63729328) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID63729328
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(Cl)c2C)cc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c1-7-3-4-9(5-10(7)13(15,16)17)20-12-8(2)11(14)18-6-19-12/h3-6H,1-2H3,(H,18,19,20)
InChIKeyRHQDDDJHCZYZDX-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 63729328) is 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1ccc(Nc2ncnc(Cl)c2C)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is RHQDDDJHCZYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-7-3-4-9(5-10(7)13(15,16)17)20-12-8(2)11(14)18-6-19-12/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 301.70 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 63729328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).