4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine

C9H14N4O2S — CID 78928279

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCS(=O)(=O)CC2)nc(N)n1
InChIInChI=1S/C9H14N4O2S/c1-7-6-8(12-9(10)11-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyCPINRINHDXZVPL-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.40
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine (PubChem CID 78928279) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
PubChem CID78928279
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCS(=O)(=O)CC2)nc(N)n1
InChIInChI=1S/C9H14N4O2S/c1-7-6-8(12-9(10)11-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyCPINRINHDXZVPL-UHFFFAOYSA-N
XLogP-0.40
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-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

4-(1,1-dioxo-1,4-thiazepan-4-yl)-6-methylpyrimidin-2-amine
CID 103739613
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 90274730
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine (CID 78928279) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCS(=O)(=O)CC2)nc(N)n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine?
The InChIKey is CPINRINHDXZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-6-8(12-9(10)11-7)13-2-4-16(14,15)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine has a molecular weight of 242.30 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 78928279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).