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

C8H10N2OS — CID 3900641

IUPAC8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cc(=O)n2c(n1)SCCC2
InChIInChI=1S/C8H10N2OS/c1-6-5-7(11)10-3-2-4-12-8(10)9-6/h5H,2-4H2,1H3
InChIKeyMJJKYZNYECUQCF-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.05
Rot. Bonds

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

8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 3900641) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID3900641
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cc(=O)n2c(n1)SCCC2
InChIInChI=1S/C8H10N2OS/c1-6-5-7(11)10-3-2-4-12-8(10)9-6/h5H,2-4H2,1H3
InChIKeyMJJKYZNYECUQCF-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 3900641) is 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1cc(=O)n2c(n1)SCCC2.
What is the InChIKey of 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is MJJKYZNYECUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-5-7(11)10-3-2-4-12-8(10)9-6/h5H,2-4H2,1H3.
What are the key properties of 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 182.25 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 3900641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).