5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine

C11H17FN4O — CID 80838137

IUPAC5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H17FN4O/c1-17-7-8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyJPXVPXGQWUANRV-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds3

About 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine

5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 80838137) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID80838137
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H17FN4O/c1-17-7-8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyJPXVPXGQWUANRV-UHFFFAOYSA-N
XLogP1.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine (CID 80838137) is 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine is COCC1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is JPXVPXGQWUANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-17-7-8-2-4-16(5-3-8)10-9(12)6-14-11(13)15-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine?
5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80838137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).