6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H24N6O2S — CID 96538160

IUPAC6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CC[S@](=O)C(C)(C)C2)n1
InChIInChI=1S/C17H24N6O2S/c1-17(2)11-23(8-9-26(17)24)10-14-20-15(18)22-16(21-14)19-12-6-4-5-7-13(12)25-3/h4-7H,8-11H2,1-3H3,(H3,18,19,20,21,22)/t26-/m0/s1
InChIKeyHXVWWZXOPPQHST-SANMLTNESA-N
MW376.49 g/mol
LogP1.55
Rot. Bonds5

About 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 96538160) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID96538160
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CC[S@](=O)C(C)(C)C2)n1
InChIInChI=1S/C17H24N6O2S/c1-17(2)11-23(8-9-26(17)24)10-14-20-15(18)22-16(21-14)19-12-6-4-5-7-13(12)25-3/h4-7H,8-11H2,1-3H3,(H3,18,19,20,21,22)/t26-/m0/s1
InChIKeyHXVWWZXOPPQHST-SANMLTNESA-N
XLogP1.55
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35221728
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525149
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 1494734
6-[(2-methoxy-5-nitrophenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 38897966
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 6987528
2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40939941
3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
CID 39005114

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 96538160) is 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CN2CC[S@](=O)C(C)(C)C2)n1.
What is the InChIKey of 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HXVWWZXOPPQHST-SANMLTNESA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-17(2)11-23(8-9-26(17)24)10-14-20-15(18)22-16(21-14)19-12-6-4-5-7-13(12)25-3/h4-7H,8-11H2,1-3H3,(H3,18,19,20,21,22)/t26-/m0/s1.
What are the key properties of 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 376.49 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 96538160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).