4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine

C14H23N5 — CID 24994630

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1
InChIInChI=1S/C14H23N5/c15-11-6-3-7-19(9-11)13-8-12(17-14(16)18-13)10-4-1-2-5-10/h8,10-11H,1-7,9,15H2,(H2,16,17,18)/t11-/m1/s1
InChIKeyTXLNGXOHBQBFGK-LLVKDONJSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds2

About 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine

4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine (PubChem CID 24994630) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
PubChem CID24994630
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1
InChIInChI=1S/C14H23N5/c15-11-6-3-7-19(9-11)13-8-12(17-14(16)18-13)10-4-1-2-5-10/h8,10-11H,1-7,9,15H2,(H2,16,17,18)/t11-/m1/s1
InChIKeyTXLNGXOHBQBFGK-LLVKDONJSA-N
XLogP1.64
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine (CID 24994630) is 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2CCC[C@@H](N)C2)n1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The InChIKey is TXLNGXOHBQBFGK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5/c15-11-6-3-7-19(9-11)13-8-12(17-14(16)18-13)10-4-1-2-5-10/h8,10-11H,1-7,9,15H2,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 24994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).