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

C6H7F3N4 — CID 141471367

IUPAC5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(F)(F)F)nc1N
InChIInChI=1S/C6H7F3N4/c1-2-3(10)12-5(6(7,8)9)13-4(2)11/h1H3,(H4,10,11,12,13)
InChIKeyXDXRLUBMQLHFIQ-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.97
Rot. Bonds

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

5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 141471367) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID141471367
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(F)(F)F)nc1N
InChIInChI=1S/C6H7F3N4/c1-2-3(10)12-5(6(7,8)9)13-4(2)11/h1H3,(H4,10,11,12,13)
InChIKeyXDXRLUBMQLHFIQ-UHFFFAOYSA-N
XLogP0.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.97
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?
The IUPAC name of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 141471367) is 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(F)(F)F)nc1N.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is XDXRLUBMQLHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c1-2-3(10)12-5(6(7,8)9)13-4(2)11/h1H3,(H4,10,11,12,13).
What are the key properties of 5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
5-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 192.14 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 141471367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).