5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

C9H13ClN6O — CID 80834056

IUPAC5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCNc1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C9H13ClN6O/c1-11-8-14-7(10)15-9(16-8)13-5-2-3-6(17)12-4-5/h5H,2-4H2,1H3,(H,12,17)(H2,11,13,14,15,16)
InChIKeyJHSTVHCUFVPLFC-UHFFFAOYSA-N
MW256.70 g/mol
LogP0.26
Rot. Bonds3

About 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one

5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (PubChem CID 80834056) has the molecular formula C9H13ClN6O and a molecular weight of 256.70 g/mol. Its IUPAC name is 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
PubChem CID80834056
Molecular FormulaC9H13ClN6O
Molecular Weight256.70 g/mol
Exact Mass256.08
IUPAC Name5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
SMILESCNc1nc(Cl)nc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C9H13ClN6O/c1-11-8-14-7(10)15-9(16-8)13-5-2-3-6(17)12-4-5/h5H,2-4H2,1H3,(H,12,17)(H2,11,13,14,15,16)
InChIKeyJHSTVHCUFVPLFC-UHFFFAOYSA-N
XLogP0.26
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one with MolForge

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Related Compounds

5-[[2-(methylamino)-7H-purin-6-yl]amino]piperidin-2-one
CID 114785220
5-[(5-methylpyrimidin-2-yl)amino]piperidin-2-one
CID 63663569
6-chloro-4-N-methyl-2-N-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 114541947
4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192262
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80833810
6-chloro-4-N-methyl-2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80847043
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
CID 80946515
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one (CID 80834056) is 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is CNc1nc(Cl)nc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
The InChIKey is JHSTVHCUFVPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN6O/c1-11-8-14-7(10)15-9(16-8)13-5-2-3-6(17)12-4-5/h5H,2-4H2,1H3,(H,12,17)(H2,11,13,14,15,16).
What are the key properties of 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one?
5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one has a molecular weight of 256.70 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 80834056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).