4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine

C14H22N4 — CID 118720439

IUPAC4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H22N4/c15-14-17-12(10-3-1-2-4-10)9-13(18-14)11-5-7-16-8-6-11/h9-11,16H,1-8H2,(H2,15,17,18)
InChIKeyPNSHYGJLUDKQCC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.18
Rot. Bonds2

About 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine

4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine (PubChem CID 118720439) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
PubChem CID118720439
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H22N4/c15-14-17-12(10-3-1-2-4-10)9-13(18-14)11-5-7-16-8-6-11/h9-11,16H,1-8H2,(H2,15,17,18)
InChIKeyPNSHYGJLUDKQCC-UHFFFAOYSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine (CID 118720439) is 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(C2CCNCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is PNSHYGJLUDKQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14-17-12(10-3-1-2-4-10)9-13(18-14)11-5-7-16-8-6-11/h9-11,16H,1-8H2,(H2,15,17,18).
What are the key properties of 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine?
4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 118720439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).