4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one

C10H13ClN4O — CID 104924420

IUPAC4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N)cc(Cl)n2)CC1=O
InChIInChI=1S/C10H13ClN4O/c1-14-2-3-15(6-10(14)16)9-5-7(12)4-8(11)13-9/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyRYLAPIQQMWSEPL-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.60
Rot. Bonds1

About 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one

4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one (PubChem CID 104924420) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
PubChem CID104924420
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(N)cc(Cl)n2)CC1=O
InChIInChI=1S/C10H13ClN4O/c1-14-2-3-15(6-10(14)16)9-5-7(12)4-8(11)13-9/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyRYLAPIQQMWSEPL-UHFFFAOYSA-N
XLogP0.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one
CID 104918759
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
CID 104918719
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one (CID 104924420) is 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one is CN1CCN(c2cc(N)cc(Cl)n2)CC1=O.
What is the InChIKey of 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one?
The InChIKey is RYLAPIQQMWSEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-14-2-3-15(6-10(14)16)9-5-7(12)4-8(11)13-9/h4-5H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one?
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 104924420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).