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

C11H17N3OS — CID 23605709

IUPAC8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCN(CC)c1cc(=O)n2c(n1)SCCC2
InChIInChI=1S/C11H17N3OS/c1-3-13(4-2)9-8-10(15)14-6-5-7-16-11(14)12-9/h8H,3-7H2,1-2H3
InChIKeySJKZDOCRSYZHJC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.59
Rot. Bonds3

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

8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 23605709) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID23605709
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCN(CC)c1cc(=O)n2c(n1)SCCC2
InChIInChI=1S/C11H17N3OS/c1-3-13(4-2)9-8-10(15)14-6-5-7-16-11(14)12-9/h8H,3-7H2,1-2H3
InChIKeySJKZDOCRSYZHJC-UHFFFAOYSA-N
XLogP1.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 23605709) is 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCN(CC)c1cc(=O)n2c(n1)SCCC2.
What is the InChIKey of 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is SJKZDOCRSYZHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-13(4-2)9-8-10(15)14-6-5-7-16-11(14)12-9/h8H,3-7H2,1-2H3.
What are the key properties of 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 23605709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).