5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride

C6H8ClF3N4 — CID 141471366

IUPAC5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCc1c(N)nc(C(F)(F)F)nc1N.Cl
InChIInChI=1S/C6H7F3N4.ClH/c1-2-3(10)12-5(6(7,8)9)13-4(2)11;/h1H3,(H4,10,11,12,13);1H
InChIKeyBHALNKAHOPIVEQ-UHFFFAOYSA-N
MW228.60 g/mol
LogP1.39
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride

5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride (PubChem CID 141471366) has the molecular formula C6H8ClF3N4 and a molecular weight of 228.60 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride
PubChem CID141471366
Molecular FormulaC6H8ClF3N4
Molecular Weight228.60 g/mol
Exact Mass228.04
IUPAC Name5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCc1c(N)nc(C(F)(F)F)nc1N.Cl
InChIInChI=1S/C6H7F3N4.ClH/c1-2-3(10)12-5(6(7,8)9)13-4(2)11;/h1H3,(H4,10,11,12,13);1H
InChIKeyBHALNKAHOPIVEQ-UHFFFAOYSA-N
XLogP1.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride (CID 141471366) is 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride is Cc1c(N)nc(C(F)(F)F)nc1N.Cl.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is BHALNKAHOPIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4.ClH/c1-2-3(10)12-5(6(7,8)9)13-4(2)11;/h1H3,(H4,10,11,12,13);1H.
What are the key properties of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride?
5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 228.60 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 141471366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).