[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine

C10H16N4O2S — CID 102884804

IUPAC[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
SMILESCC1CS(=O)(=O)CCN1c1ncc(CN)cn1
InChIInChI=1S/C10H16N4O2S/c1-8-7-17(15,16)3-2-14(8)10-12-5-9(4-11)6-13-10/h5-6,8H,2-4,7,11H2,1H3
InChIKeyAYTVJUSSLIZUAS-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.44
Rot. Bonds2

About [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine

[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine (PubChem CID 102884804) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
PubChem CID102884804
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine
SMILESCC1CS(=O)(=O)CCN1c1ncc(CN)cn1
InChIInChI=1S/C10H16N4O2S/c1-8-7-17(15,16)3-2-14(8)10-12-5-9(4-11)6-13-10/h5-6,8H,2-4,7,11H2,1H3
InChIKeyAYTVJUSSLIZUAS-UHFFFAOYSA-N
XLogP-0.44
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine (CID 102884804) is [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine is CC1CS(=O)(=O)CCN1c1ncc(CN)cn1.
What is the InChIKey of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine?
The InChIKey is AYTVJUSSLIZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-7-17(15,16)3-2-14(8)10-12-5-9(4-11)6-13-10/h5-6,8H,2-4,7,11H2,1H3.
What are the key properties of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine?
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine has a molecular weight of 256.33 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 102884804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).