6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine

C15H23FN4O — CID 75438012

IUPAC6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCN(C3CCOC3)CC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-10-17-13)19-11-3-6-20(7-4-11)12-5-8-21-9-12/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyCFQDCJHMNYWHKY-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.84
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 75438012) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID75438012
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCc1ncnc(NC2CCN(C3CCOC3)CC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-10-17-13)19-11-3-6-20(7-4-11)12-5-8-21-9-12/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyCFQDCJHMNYWHKY-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine (CID 75438012) is 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine is CCc1ncnc(NC2CCN(C3CCOC3)CC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is CFQDCJHMNYWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-10-17-13)19-11-3-6-20(7-4-11)12-5-8-21-9-12/h10-12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 294.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 75438012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).