5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine

C13H22N4O2S — CID 136519674

IUPAC5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-13(2)10-17(5-6-20(13,18)19)9-11-7-14-12(15-8-11)16(3)4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyUGOPHJRBRGPTHL-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.55
Rot. Bonds3

About 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine

5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 136519674) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID136519674
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-13(2)10-17(5-6-20(13,18)19)9-11-7-14-12(15-8-11)16(3)4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyUGOPHJRBRGPTHL-UHFFFAOYSA-N
XLogP0.55
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
US10058550, Example 313.0
CID 122701338
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
(4aR*,7aS*)-N,N-dimethyl-4-[(2-methyl-5-pyrimidinyl)methyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70705352
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
N~2~-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50955867
5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-2-amine
CID 63208027
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
4-[(2-Cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide
CID 128703069

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine (CID 136519674) is 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)cn1.
What is the InChIKey of 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is UGOPHJRBRGPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2)10-17(5-6-20(13,18)19)9-11-7-14-12(15-8-11)16(3)4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine?
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 136519674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).