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

C12H17N3O3S — CID 136865945

IUPAC2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCC1CS(=O)(=O)CCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19(17,18)5-4-15(8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyITYHPHSRNBWLPU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.27
Rot. Bonds2

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

2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (PubChem CID 136865945) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
PubChem CID136865945
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
SMILESCC1CS(=O)(=O)CCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19(17,18)5-4-15(8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyITYHPHSRNBWLPU-UHFFFAOYSA-N
XLogP0.27
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one 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-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one (CID 136865945) is 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is CC1CS(=O)(=O)CCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ITYHPHSRNBWLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-7-19(17,18)5-4-15(8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136865945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).