5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride

C23H29Cl2N7O — CID 139536924

IUPAC5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
SMILESCN(c1ncc(-c2ccc(-c3ccnc(Cl)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C23H28ClN7O.ClH/c1-22(2)11-15(12-23(3,4)30-22)31(5)21-26-13-18(28-29-21)16-7-6-14(10-19(16)32)17-8-9-25-20(24)27-17;/h6-10,13,15,30,32H,11-12H2,1-5H3;1H
InChIKeyKVXQVLZKGFPHKU-UHFFFAOYSA-N
MW490.44 g/mol
LogP4.52
Rot. Bonds4

About 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride

5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride (PubChem CID 139536924) has the molecular formula C23H29Cl2N7O and a molecular weight of 490.44 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
PubChem CID139536924
Molecular FormulaC23H29Cl2N7O
Molecular Weight490.44 g/mol
Exact Mass489.18
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
SMILESCN(c1ncc(-c2ccc(-c3ccnc(Cl)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C23H28ClN7O.ClH/c1-22(2)11-15(12-23(3,4)30-22)31(5)21-26-13-18(28-29-21)16-7-6-14(10-19(16)32)17-8-9-25-20(24)27-17;/h6-10,13,15,30,32H,11-12H2,1-5H3;1H
InChIKeyKVXQVLZKGFPHKU-UHFFFAOYSA-N
XLogP4.52
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylimidazol-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 155772539
5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536558
3-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]-1H-pyridazin-6-one;hydrochloride
CID 139536490
5-[6-amino-5-[amino(methyl)amino]-2-pyridinyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 153348816
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenol
CID 139536580
5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536748
5-(2,3-dihydro-1,3-benzoxazol-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 155772524
5-(6-methoxy-1,2,4-triazin-3-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536902
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(tetrazolo[1,5-a]pyridin-7-yl)phenol
CID 139537100
6-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]quinolin-7-ol;hydrobromide
CID 139536481
1-[1-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]pyrazol-4-yl]ethanone;dihydrochloride
CID 139536425
N-[amino-[3-hydroxy-4-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenyl]methylidene]-N'-methylcarbamimidoyl chloride
CID 153348617

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride (CID 139536924) is 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride is CN(c1ncc(-c2ccc(-c3ccnc(Cl)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride?
The InChIKey is KVXQVLZKGFPHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O.ClH/c1-22(2)11-15(12-23(3,4)30-22)31(5)21-26-13-18(28-29-21)16-7-6-14(10-19(16)32)17-8-9-25-20(24)27-17;/h6-10,13,15,30,32H,11-12H2,1-5H3;1H.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride?
5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride has a molecular weight of 490.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol;hydrochloride is sourced from PubChem (CID 139536924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).