5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

C15H23FN4O2 — CID 137345753

IUPAC5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCOc1nc(NC2CCN(CC3CCCO3)CC2)ncc1F
InChIInChI=1S/C15H23FN4O2/c1-21-14-13(16)9-17-15(19-14)18-11-4-6-20(7-5-11)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3,(H,17,18,19)
InChIKeyLRRPOGCTCSWWHG-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.68
Rot. Bonds5

About 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 137345753) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID137345753
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCOc1nc(NC2CCN(CC3CCCO3)CC2)ncc1F
InChIInChI=1S/C15H23FN4O2/c1-21-14-13(16)9-17-15(19-14)18-11-4-6-20(7-5-11)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3,(H,17,18,19)
InChIKeyLRRPOGCTCSWWHG-UHFFFAOYSA-N
XLogP1.68
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 137345753) is 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is COc1nc(NC2CCN(CC3CCCO3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is LRRPOGCTCSWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-21-14-13(16)9-17-15(19-14)18-11-4-6-20(7-5-11)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 310.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 137345753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).