[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone

C16H19N7OS — CID 176678400

IUPAC[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
SMILESCNC1=CCCN(C(=O)C2=CN(c3ncnc4nc[nH]c34)CCS2)C1
InChIInChI=1S/C16H19N7OS/c1-17-11-3-2-4-23(7-11)16(24)12-8-22(5-6-25-12)15-13-14(19-9-18-13)20-10-21-15/h3,8-10,17H,2,4-7H2,1H3,(H,18,19,20,21)
InChIKeyCDDDRWHQBIKIOL-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.08
Rot. Bonds3

About [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone

[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone (PubChem CID 176678400) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone.

Molecular Properties

Compound Name[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
PubChem CID176678400
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
SMILESCNC1=CCCN(C(=O)C2=CN(c3ncnc4nc[nH]c34)CCS2)C1
InChIInChI=1S/C16H19N7OS/c1-17-11-3-2-4-23(7-11)16(24)12-8-22(5-6-25-12)15-13-14(19-9-18-13)20-10-21-15/h3,8-10,17H,2,4-7H2,1H3,(H,18,19,20,21)
InChIKeyCDDDRWHQBIKIOL-UHFFFAOYSA-N
XLogP1.08
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(methylamino)pyrrolidin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678418
N-(2-formamidoethyl)-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 174180448
6-methyl-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine
CID 170739483
piperidin-1-yl-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanimine
CID 176678205
(Z)-3-imino-1-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]prop-1-en-1-amine
CID 176678556
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
(4-hydroxypiperidin-1-yl)-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678339
N-methyl-4-(8-methyl-2,4,7,8-tetrazabicyclo[4.2.0]octa-1(6),2,4-trien-5-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide;molecular hydrogen
CID 170739523
(Z)-1-[1,1-dioxo-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]-N-methyl-2-(methylideneamino)ethenamine
CID 170739427
2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
CID 72938766
methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 118779921

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone?
The IUPAC name of [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) is [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone.
What is the SMILES notation for [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone?
The canonical SMILES for [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone is CNC1=CCCN(C(=O)C2=CN(c3ncnc4nc[nH]c34)CCS2)C1.
What is the InChIKey of [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone?
The InChIKey is CDDDRWHQBIKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-17-11-3-2-4-23(7-11)16(24)12-8-22(5-6-25-12)15-13-14(19-9-18-13)20-10-21-15/h3,8-10,17H,2,4-7H2,1H3,(H,18,19,20,21).
What are the key properties of [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone?
[5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]-[4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone is sourced from PubChem (CID 176678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).