2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride

C11H10ClF3N4 — CID 121300182

IUPAC2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C11H9F3N4.ClH/c12-11(13,14)7-3-1-6(2-4-7)10-17-5-8(15)9(16)18-10;/h1-5H,15H2,(H2,16,17,18);1H
InChIKeyXFZGWAJIUOPVBI-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.75
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride

2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride (PubChem CID 121300182) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
PubChem CID121300182
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
SMILESCl.Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C11H9F3N4.ClH/c12-11(13,14)7-3-1-6(2-4-7)10-17-5-8(15)9(16)18-10;/h1-5H,15H2,(H2,16,17,18);1H
InChIKeyXFZGWAJIUOPVBI-UHFFFAOYSA-N
XLogP2.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride (CID 121300182) is 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride is Cl.Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride?
The InChIKey is XFZGWAJIUOPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4.ClH/c12-11(13,14)7-3-1-6(2-4-7)10-17-5-8(15)9(16)18-10;/h1-5H,15H2,(H2,16,17,18);1H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride?
2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride has a molecular weight of 290.68 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride is sourced from PubChem (CID 121300182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).