5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

C13H16N6 — CID 141215033

IUPAC5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)cn1
InChIInChI=1S/C13H16N6/c14-13-17-8-11(9-18-13)10-1-2-12(16-7-10)19-5-3-15-4-6-19/h1-2,7-9,15H,3-6H2,(H2,14,17,18)
InChIKeyROGYCEZHXKQAGF-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.53
Rot. Bonds2

About 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 141215033) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID141215033
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)cn1
InChIInChI=1S/C13H16N6/c14-13-17-8-11(9-18-13)10-1-2-12(16-7-10)19-5-3-15-4-6-19/h1-2,7-9,15H,3-6H2,(H2,14,17,18)
InChIKeyROGYCEZHXKQAGF-UHFFFAOYSA-N
XLogP0.53
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (CID 141215033) is 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is Nc1ncc(-c2ccc(N3CCNCC3)nc2)cn1.
What is the InChIKey of 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is ROGYCEZHXKQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c14-13-17-8-11(9-18-13)10-1-2-12(16-7-10)19-5-3-15-4-6-19/h1-2,7-9,15H,3-6H2,(H2,14,17,18).
What are the key properties of 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 141215033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).