4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine

C10H10F4N6O — CID 70842912

IUPAC4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESNc1nc(OCCC(F)C(F)(F)F)cc(-n2cncn2)n1
InChIInChI=1S/C10H10F4N6O/c11-6(10(12,13)14)1-2-21-8-3-7(18-9(15)19-8)20-5-16-4-17-20/h3-6H,1-2H2,(H2,15,18,19)
InChIKeyQTUVCSOWBXFETN-UHFFFAOYSA-N
MW306.22 g/mol
LogP1.31
Rot. Bonds5

About 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine

4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine (PubChem CID 70842912) has the molecular formula C10H10F4N6O and a molecular weight of 306.22 g/mol. Its IUPAC name is 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
PubChem CID70842912
Molecular FormulaC10H10F4N6O
Molecular Weight306.22 g/mol
Exact Mass306.09
IUPAC Name4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESNc1nc(OCCC(F)C(F)(F)F)cc(-n2cncn2)n1
InChIInChI=1S/C10H10F4N6O/c11-6(10(12,13)14)1-2-21-8-3-7(18-9(15)19-8)20-5-16-4-17-20/h3-6H,1-2H2,(H2,15,18,19)
InChIKeyQTUVCSOWBXFETN-UHFFFAOYSA-N
XLogP1.31
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine (CID 70842912) is 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine is Nc1nc(OCCC(F)C(F)(F)F)cc(-n2cncn2)n1.
What is the InChIKey of 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The InChIKey is QTUVCSOWBXFETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N6O/c11-6(10(12,13)14)1-2-21-8-3-7(18-9(15)19-8)20-5-16-4-17-20/h3-6H,1-2H2,(H2,15,18,19).
What are the key properties of 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine has a molecular weight of 306.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 70842912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).