4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride

C11H12ClF3N4 — CID 143821798

IUPAC4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride
SMILESCl.NC1=CNC=NC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4.ClH/c12-11(13,14)8-3-1-7(2-4-8)10(16)9(15)5-17-6-18-10;/h1-6H,15-16H2,(H,17,18);1H
InChIKeyPXWWBBUFESCLFK-UHFFFAOYSA-N
MW292.69 g/mol
LogP1.67
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride

4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride (PubChem CID 143821798) has the molecular formula C11H12ClF3N4 and a molecular weight of 292.69 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride
PubChem CID143821798
Molecular FormulaC11H12ClF3N4
Molecular Weight292.69 g/mol
Exact Mass292.07
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride
SMILESCl.NC1=CNC=NC1(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4.ClH/c12-11(13,14)8-3-1-7(2-4-8)10(16)9(15)5-17-6-18-10;/h1-6H,15-16H2,(H,17,18);1H
InChIKeyPXWWBBUFESCLFK-UHFFFAOYSA-N
XLogP1.67
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride (CID 143821798) is 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride is Cl.NC1=CNC=NC1(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride?
The InChIKey is PXWWBBUFESCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4.ClH/c12-11(13,14)8-3-1-7(2-4-8)10(16)9(15)5-17-6-18-10;/h1-6H,15-16H2,(H,17,18);1H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride?
4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride has a molecular weight of 292.69 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4,5-diamine;hydrochloride is sourced from PubChem (CID 143821798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).