[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine

C10H16N4OS — CID 107541777

IUPAC[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H16N4OS/c1-8-6-9(7-11)13-10(12-8)14-2-4-16(15)5-3-14/h6H,2-5,7,11H2,1H3
InChIKeyOCPIKMRUSXVAMN-UHFFFAOYSA-N
MW240.33 g/mol
LogP-0.19
Rot. Bonds2

About [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine

[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine (PubChem CID 107541777) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
PubChem CID107541777
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H16N4OS/c1-8-6-9(7-11)13-10(12-8)14-2-4-16(15)5-3-14/h6H,2-5,7,11H2,1H3
InChIKeyOCPIKMRUSXVAMN-UHFFFAOYSA-N
XLogP-0.19
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine (CID 107541777) is [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine is Cc1cc(CN)nc(N2CCS(=O)CC2)n1.
What is the InChIKey of [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine?
The InChIKey is OCPIKMRUSXVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8-6-9(7-11)13-10(12-8)14-2-4-16(15)5-3-14/h6H,2-5,7,11H2,1H3.
What are the key properties of [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine?
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine has a molecular weight of 240.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107541777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).