[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine

C13H21FN4 — CID 114045745

IUPAC[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
SMILESCCc1ncnc(N2CCC(C)CC2CN)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-5-4-9(2)6-10(18)7-15/h8-10H,3-7,15H2,1-2H3
InChIKeyHHIQWYYSPYDLBD-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.74
Rot. Bonds3

About [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine

[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 114045745) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
PubChem CID114045745
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
SMILESCCc1ncnc(N2CCC(C)CC2CN)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-5-4-9(2)6-10(18)7-15/h8-10H,3-7,15H2,1-2H3
InChIKeyHHIQWYYSPYDLBD-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine (CID 114045745) is [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine is CCc1ncnc(N2CCC(C)CC2CN)c1F.
What is the InChIKey of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is HHIQWYYSPYDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-5-4-9(2)6-10(18)7-15/h8-10H,3-7,15H2,1-2H3.
What are the key properties of [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine?
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 114045745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).