4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

C13H13ClF3N3 — CID 2969508

IUPAC4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C13H12F3N3.ClH/c1-8-6-9(2)18-12(17-8)19-11-5-3-4-10(7-11)13(14,15)16;/h3-7H,1-2H3,(H,17,18,19);1H
InChIKeyKVGUMXCCBATQQV-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.28
Rot. Bonds2

About 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (PubChem CID 2969508) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
PubChem CID2969508
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C13H12F3N3.ClH/c1-8-6-9(2)18-12(17-8)19-11-5-3-4-10(7-11)13(14,15)16;/h3-7H,1-2H3,(H,17,18,19);1H
InChIKeyKVGUMXCCBATQQV-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (CID 2969508) is 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is KVGUMXCCBATQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3.ClH/c1-8-6-9(2)18-12(17-8)19-11-5-3-4-10(7-11)13(14,15)16;/h3-7H,1-2H3,(H,17,18,19);1H.
What are the key properties of 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 303.72 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2969508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).