6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H15F3N6 — CID 106773474

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-4-5-16-9-6-10(19-11(18-9)12(13,14)15)21-8(3)17-7(2)20-21/h6H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyDPTKHEAMDZTMTP-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.51
Rot. Bonds4

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773474) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773474
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N6/c1-4-5-16-9-6-10(19-11(18-9)12(13,14)15)21-8(3)17-7(2)20-21/h6H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyDPTKHEAMDZTMTP-UHFFFAOYSA-N
XLogP2.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773474) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DPTKHEAMDZTMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-4-5-16-9-6-10(19-11(18-9)12(13,14)15)21-8(3)17-7(2)20-21/h6H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 300.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).