2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C9H14N4OS — CID 80804871

IUPAC2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H14N4OS/c1-7-11-8(10)6-9(12-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyOVRYHLVSTQXJHN-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.06
Rot. Bonds1

About 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 80804871) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID80804871
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H14N4OS/c1-7-11-8(10)6-9(12-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyOVRYHLVSTQXJHN-UHFFFAOYSA-N
XLogP-0.06
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 80804871) is 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is Cc1nc(N)cc(N2CCS(=O)CC2)n1.
What is the InChIKey of 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is OVRYHLVSTQXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-7-11-8(10)6-9(12-7)13-2-4-15(14)5-3-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 226.30 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80804871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).