piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine

C15H19N7S — CID 176678205

IUPACpiperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine
SMILES[H]/N=C(/C1=CN(c2ncnc3nc[nH]c23)CCS1)N1CCCCC1
InChIInChI=1S/C15H19N7S/c16-13(21-4-2-1-3-5-21)11-8-22(6-7-23-11)15-12-14(18-9-17-12)19-10-20-15/h8-10,16H,1-7H2,(H,17,18,19,20)/b16-13-
InChIKeyJIPGYQHPSIVFGJ-SSZFMOIBSA-N
MW329.43 g/mol
LogP2.21
Rot. Bonds2

About piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine

piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine (PubChem CID 176678205) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine
PubChem CID176678205
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Namepiperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine
SMILES[H]/N=C(/C1=CN(c2ncnc3nc[nH]c23)CCS1)N1CCCCC1
InChIInChI=1S/C15H19N7S/c16-13(21-4-2-1-3-5-21)11-8-22(6-7-23-11)15-12-14(18-9-17-12)19-10-20-15/h8-10,16H,1-7H2,(H,17,18,19,20)/b16-13-
InChIKeyJIPGYQHPSIVFGJ-SSZFMOIBSA-N
XLogP2.21
TPSA84.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-imino-1-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]prop-1-en-1-amine
CID 176678556
6-methyl-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine
CID 170739483
[(3S)-3-(methylamino)pyrrolidin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678418
[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678400
N-(2-formamidoethyl)-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 174180448
3-[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]-1-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]propan-1-one
CID 176678280
5-(piperidine-1-carboximidoyl)-1H-imidazol-4-amine
CID 135745792
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
1-(azepan-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 56736233
(4-hydroxypiperidin-1-yl)-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678339
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine?
The IUPAC name of piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine (CID 176678205) is piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine.
What is the SMILES notation for piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine?
The canonical SMILES for piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine is [H]/N=C(/C1=CN(c2ncnc3nc[nH]c23)CCS1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine?
The InChIKey is JIPGYQHPSIVFGJ-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H19N7S/c16-13(21-4-2-1-3-5-21)11-8-22(6-7-23-11)15-12-14(18-9-17-12)19-10-20-15/h8-10,16H,1-7H2,(H,17,18,19,20)/b16-13-.
What are the key properties of piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine?
piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine has a molecular weight of 329.43 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine is sourced from PubChem (CID 176678205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).