2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine

C14H23FN4 — CID 170093839

IUPAC2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCCC1CCN(c2nccc(N)n2)CC1(C)F
InChIInChI=1S/C14H23FN4/c1-3-4-5-11-7-9-19(10-14(11,2)15)13-17-8-6-12(16)18-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyCOYDEODMZDIUST-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine

2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 170093839) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID170093839
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCCC1CCN(c2nccc(N)n2)CC1(C)F
InChIInChI=1S/C14H23FN4/c1-3-4-5-11-7-9-19(10-14(11,2)15)13-17-8-6-12(16)18-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyCOYDEODMZDIUST-UHFFFAOYSA-N
XLogP2.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 170093839) is 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine is CCCCC1CCN(c2nccc(N)n2)CC1(C)F.
What is the InChIKey of 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is COYDEODMZDIUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-3-4-5-11-7-9-19(10-14(11,2)15)13-17-8-6-12(16)18-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine?
2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-3-fluoro-3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 170093839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).