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

C16H19N3OS — CID 4911093

IUPAC7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCN(C)c1nc2n(c(=O)c1Cc1ccccc1)CCCS2
InChIInChI=1S/C16H19N3OS/c1-18(2)14-13(11-12-7-4-3-5-8-12)15(20)19-9-6-10-21-16(19)17-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYBZFKDUBZAWJDS-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.40
Rot. Bonds3

About 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4911093) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4911093
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCN(C)c1nc2n(c(=O)c1Cc1ccccc1)CCCS2
InChIInChI=1S/C16H19N3OS/c1-18(2)14-13(11-12-7-4-3-5-8-12)15(20)19-9-6-10-21-16(19)17-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyYBZFKDUBZAWJDS-UHFFFAOYSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4911093) is 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CN(C)c1nc2n(c(=O)c1Cc1ccccc1)CCCS2.
What is the InChIKey of 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is YBZFKDUBZAWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18(2)14-13(11-12-7-4-3-5-8-12)15(20)19-9-6-10-21-16(19)17-14/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 301.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4911093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).