2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

C7H8F3N3O — CID 116798007

IUPAC2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESNc1ccnc(OCCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)2-4-14-6-12-3-1-5(11)13-6/h1,3H,2,4H2,(H2,11,12,13)
InChIKeyVPACWVRAEOBZIU-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.39
Rot. Bonds3

About 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (PubChem CID 116798007) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
PubChem CID116798007
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESNc1ccnc(OCCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)2-4-14-6-12-3-1-5(11)13-6/h1,3H,2,4H2,(H2,11,12,13)
InChIKeyVPACWVRAEOBZIU-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (CID 116798007) is 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is Nc1ccnc(OCCC(F)(F)F)n1.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The InChIKey is VPACWVRAEOBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)2-4-14-6-12-3-1-5(11)13-6/h1,3H,2,4H2,(H2,11,12,13).
What are the key properties of 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine has a molecular weight of 207.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 116798007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).