2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one

C10H15N3O3S — CID 136865944

IUPAC2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-7-6-17(15,16)4-3-13(7)9-5-10(14)12-8(2)11-9/h5,7H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyBZZBGVDBWNSZOD-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.30
Rot. Bonds1

About 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one

2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (PubChem CID 136865944) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
PubChem CID136865944
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-7-6-17(15,16)4-3-13(7)9-5-10(14)12-8(2)11-9/h5,7H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyBZZBGVDBWNSZOD-UHFFFAOYSA-N
XLogP-0.30
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (CID 136865944) is 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCS(=O)(=O)CC2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is BZZBGVDBWNSZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-6-17(15,16)4-3-13(7)9-5-10(14)12-8(2)11-9/h5,7H,3-4,6H2,1-2H3,(H,11,12,14).
What are the key properties of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 257.31 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136865944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).