2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine

C8H14ClN5 — CID 67787370

IUPAC2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
SMILESNC1(Cl)N=CC=C(N2CCNCC2)N1
InChIInChI=1S/C8H14ClN5/c9-8(10)12-2-1-7(13-8)14-5-3-11-4-6-14/h1-2,11,13H,3-6,10H2
InChIKeyHUBWPRWZEPPLIC-UHFFFAOYSA-N
MW215.69 g/mol
LogP-0.78
Rot. Bonds1

About 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine

2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine (PubChem CID 67787370) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
PubChem CID67787370
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
SMILESNC1(Cl)N=CC=C(N2CCNCC2)N1
InChIInChI=1S/C8H14ClN5/c9-8(10)12-2-1-7(13-8)14-5-3-11-4-6-14/h1-2,11,13H,3-6,10H2
InChIKeyHUBWPRWZEPPLIC-UHFFFAOYSA-N
XLogP-0.78
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine?
The IUPAC name of 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine (CID 67787370) is 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine.
What is the SMILES notation for 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine?
The canonical SMILES for 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine is NC1(Cl)N=CC=C(N2CCNCC2)N1.
What is the InChIKey of 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine?
The InChIKey is HUBWPRWZEPPLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c9-8(10)12-2-1-7(13-8)14-5-3-11-4-6-14/h1-2,11,13H,3-6,10H2.
What are the key properties of 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine?
2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine has a molecular weight of 215.69 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine is sourced from PubChem (CID 67787370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).