N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine

C11H18N4O2S — CID 171675277

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1cncnc1NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N4O2S/c1-10-8-12-9-14-11(10)13-2-3-15-4-6-18(16,17)7-5-15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyQBCXKUOSGRPHDI-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.07
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 171675277) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID171675277
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1cncnc1NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H18N4O2S/c1-10-8-12-9-14-11(10)13-2-3-15-4-6-18(16,17)7-5-15/h8-9H,2-7H2,1H3,(H,12,13,14)
InChIKeyQBCXKUOSGRPHDI-UHFFFAOYSA-N
XLogP-0.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine 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-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine
CID 167766245
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylquinazolin-4-amine
CID 166192855
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62560247
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine (CID 171675277) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine is Cc1cncnc1NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is QBCXKUOSGRPHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-10-8-12-9-14-11(10)13-2-3-15-4-6-18(16,17)7-5-15/h8-9H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 171675277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).