6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine

C14H24N4 — CID 126848416

IUPAC6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyGVTKDSQIIRJGGW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds5

About 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine

6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 126848416) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID126848416
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyGVTKDSQIIRJGGW-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine (CID 126848416) is 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine is CCC(CC)c1cc(NC2CCCNC2)ncn1.
What is the InChIKey of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is GVTKDSQIIRJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-11(4-2)13-8-14(17-10-16-13)18-12-6-5-7-15-9-12/h8,10-12,15H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine?
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).