2,9a-dihydropyrimido[2,1-b][1,3]thiazine

C7H8N2S — CID 67729636

IUPAC2,9a-dihydropyrimido[2,1-b][1,3]thiazine
SMILESC1=CN2C=CCSC2N=C1
InChIInChI=1S/C7H8N2S/c1-3-8-7-9(4-1)5-2-6-10-7/h1-5,7H,6H2
InChIKeyXFLIHLOQFDBNRW-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.43
Rot. Bonds

About 2,9a-dihydropyrimido[2,1-b][1,3]thiazine

2,9a-dihydropyrimido[2,1-b][1,3]thiazine (PubChem CID 67729636) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,9a-dihydropyrimido[2,1-b][1,3]thiazine.

Molecular Properties

Compound Name2,9a-dihydropyrimido[2,1-b][1,3]thiazine
PubChem CID67729636
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2,9a-dihydropyrimido[2,1-b][1,3]thiazine
SMILESC1=CN2C=CCSC2N=C1
InChIInChI=1S/C7H8N2S/c1-3-8-7-9(4-1)5-2-6-10-7/h1-5,7H,6H2
InChIKeyXFLIHLOQFDBNRW-UHFFFAOYSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9a-dihydropyrimido[2,1-b][1,3]thiazine?
The IUPAC name of 2,9a-dihydropyrimido[2,1-b][1,3]thiazine (CID 67729636) is 2,9a-dihydropyrimido[2,1-b][1,3]thiazine.
What is the SMILES notation for 2,9a-dihydropyrimido[2,1-b][1,3]thiazine?
The canonical SMILES for 2,9a-dihydropyrimido[2,1-b][1,3]thiazine is C1=CN2C=CCSC2N=C1.
What is the InChIKey of 2,9a-dihydropyrimido[2,1-b][1,3]thiazine?
The InChIKey is XFLIHLOQFDBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-8-7-9(4-1)5-2-6-10-7/h1-5,7H,6H2.
What are the key properties of 2,9a-dihydropyrimido[2,1-b][1,3]thiazine?
2,9a-dihydropyrimido[2,1-b][1,3]thiazine has a molecular weight of 152.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9a-dihydropyrimido[2,1-b][1,3]thiazine is sourced from PubChem (CID 67729636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).