4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

C8H9F4N3O — CID 175471475

IUPAC4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)C(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-16-7-3(2-14-8(13)15-7)4(9)5(10)6(11)12/h2,4-6H,1H3,(H2,13,14,15)
InChIKeyALSYTKNYSZUZBS-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.68
Rot. Bonds4

About 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (PubChem CID 175471475) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
PubChem CID175471475
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)C(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-16-7-3(2-14-8(13)15-7)4(9)5(10)6(11)12/h2,4-6H,1H3,(H2,13,14,15)
InChIKeyALSYTKNYSZUZBS-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (CID 175471475) is 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is COc1nc(N)ncc1C(F)C(F)C(F)F.
What is the InChIKey of 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The InChIKey is ALSYTKNYSZUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-16-7-3(2-14-8(13)15-7)4(9)5(10)6(11)12/h2,4-6H,1H3,(H2,13,14,15).
What are the key properties of 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine has a molecular weight of 239.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 175471475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).