4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine

C10H13F2N3O — CID 146166280

IUPAC4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCOCC2)nc1C(F)[18F]
InChIInChI=1S/C10H13F2N3O/c11-9(12)8-7(13)5-14-10(15-8)6-1-3-16-4-2-6/h5-6,9H,1-4,13H2/i11-1
InChIKeyYCZNILZXNQOCJJ-KXMUYVCJSA-N
MW228.23 g/mol
LogP1.89
Rot. Bonds2

About 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine

4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine (PubChem CID 146166280) has the molecular formula C10H13F2N3O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine
PubChem CID146166280
Molecular FormulaC10H13F2N3O
Molecular Weight228.23 g/mol
Exact Mass228.11
IUPAC Name4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCOCC2)nc1C(F)[18F]
InChIInChI=1S/C10H13F2N3O/c11-9(12)8-7(13)5-14-10(15-8)6-1-3-16-4-2-6/h5-6,9H,1-4,13H2/i11-1
InChIKeyYCZNILZXNQOCJJ-KXMUYVCJSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine?
The IUPAC name of 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine (CID 146166280) is 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine?
The canonical SMILES for 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine is Nc1cnc(C2CCOCC2)nc1C(F)[18F].
What is the InChIKey of 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine?
The InChIKey is YCZNILZXNQOCJJ-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-9(12)8-7(13)5-14-10(15-8)6-1-3-16-4-2-6/h5-6,9H,1-4,13H2/i11-1.
What are the key properties of 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine?
4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine has a molecular weight of 228.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(fluoro)methyl]-2-(oxan-4-yl)pyrimidin-5-amine is sourced from PubChem (CID 146166280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).