7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C9H12N2OS — CID 54231171

IUPAC7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1C)CCCS2
InChIInChI=1S/C9H12N2OS/c1-6-7(2)10-9-11(8(6)12)4-3-5-13-9/h3-5H2,1-2H3
InChIKeyQJJCUTKIDAQSJW-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.36
Rot. Bonds

About 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 54231171) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID54231171
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1C)CCCS2
InChIInChI=1S/C9H12N2OS/c1-6-7(2)10-9-11(8(6)12)4-3-5-13-9/h3-5H2,1-2H3
InChIKeyQJJCUTKIDAQSJW-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 54231171) is 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1nc2n(c(=O)c1C)CCCS2.
What is the InChIKey of 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is QJJCUTKIDAQSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-7(2)10-9-11(8(6)12)4-3-5-13-9/h3-5H2,1-2H3.
What are the key properties of 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 196.27 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 54231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).