6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H12F3N7 — CID 106771686

IUPAC6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c1-14-6-3-7(18-9(17-6)10(11,12)13)15-4-8-19-16-5-20(8)2/h3,5H,4H2,1-2H3,(H2,14,15,17,18)
InChIKeyGUCMVRCNEQKDEA-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.28
Rot. Bonds4

About 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771686) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771686
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c1-14-6-3-7(18-9(17-6)10(11,12)13)15-4-8-19-16-5-20(8)2/h3,5H,4H2,1-2H3,(H2,14,15,17,18)
InChIKeyGUCMVRCNEQKDEA-UHFFFAOYSA-N
XLogP1.28
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771686) is 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is GUCMVRCNEQKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c1-14-6-3-7(18-9(17-6)10(11,12)13)15-4-8-19-16-5-20(8)2/h3,5H,4H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 287.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).