2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine

C13H15ClN6 — CID 104918719

IUPAC2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C13H15ClN6/c14-11-8-10(15)9-12(18-11)19-4-6-20(7-5-19)13-16-2-1-3-17-13/h1-3,8-9H,4-7H2,(H2,15,18)
InChIKeySAWKCOBOUOBXOI-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.43
Rot. Bonds2

About 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine

2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine (PubChem CID 104918719) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
PubChem CID104918719
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C13H15ClN6/c14-11-8-10(15)9-12(18-11)19-4-6-20(7-5-19)13-16-2-1-3-17-13/h1-3,8-9H,4-7H2,(H2,15,18)
InChIKeySAWKCOBOUOBXOI-UHFFFAOYSA-N
XLogP1.43
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
CID 104924420
2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80939063
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 59867376
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112910918
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine (CID 104918719) is 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine is Nc1cc(Cl)nc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine?
The InChIKey is SAWKCOBOUOBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c14-11-8-10(15)9-12(18-11)19-4-6-20(7-5-19)13-16-2-1-3-17-13/h1-3,8-9H,4-7H2,(H2,15,18).
What are the key properties of 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine?
2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine has a molecular weight of 290.76 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine is sourced from PubChem (CID 104918719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).