2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine

C12H17FN4O — CID 134589712

IUPAC2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(C3COC3)CC2)nc(F)n1
InChIInChI=1S/C12H17FN4O/c13-12-15-10(14)5-11(16-12)17-3-1-8(2-4-17)9-6-18-7-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16)
InChIKeyVJOJLBBVHDXEQI-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.06
Rot. Bonds2

About 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine

2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 134589712) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID134589712
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(C3COC3)CC2)nc(F)n1
InChIInChI=1S/C12H17FN4O/c13-12-15-10(14)5-11(16-12)17-3-1-8(2-4-17)9-6-18-7-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16)
InChIKeyVJOJLBBVHDXEQI-UHFFFAOYSA-N
XLogP1.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine (CID 134589712) is 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC(C3COC3)CC2)nc(F)n1.
What is the InChIKey of 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is VJOJLBBVHDXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c13-12-15-10(14)5-11(16-12)17-3-1-8(2-4-17)9-6-18-7-9/h5,8-9H,1-4,6-7H2,(H2,14,15,16).
What are the key properties of 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine?
2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 252.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 134589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).