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

C16H27N3OS — CID 4906761

IUPAC8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N(CC)CC)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H27N3OS/c1-4-7-8-10-13-14(18(5-2)6-3)17-16-19(15(13)20)11-9-12-21-16/h4-12H2,1-3H3
InChIKeyMZKBXWBCKDGTDO-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.32
Rot. Bonds7

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

8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4906761) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4906761
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N(CC)CC)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H27N3OS/c1-4-7-8-10-13-14(18(5-2)6-3)17-16-19(15(13)20)11-9-12-21-16/h4-12H2,1-3H3
InChIKeyMZKBXWBCKDGTDO-UHFFFAOYSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-8-piperidino-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 50744716
7-butyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135481903
8-(dimethylamino)-7-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 53298897
7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 53298898
7-hexyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135420493
8-Hydroxy-7-pentyl-2H,3H,4H,6H-pyrimido[2,1-B][1,3]thiazin-6-one
CID 135584595
6-Hydroxy-2-(2-oxo-2-piperidylethylthio)-5-pentyl-3-hydropyrimidin-4-one
CID 3508353
3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
CID 10977042
8-(morpholin-4-yl)-7-octyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1906883
8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4900413
7-(Azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4910070
7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4911889

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4906761) is 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(N(CC)CC)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is MZKBXWBCKDGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-7-8-10-13-14(18(5-2)6-3)17-16-19(15(13)20)11-9-12-21-16/h4-12H2,1-3H3.
What are the key properties of 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 309.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4906761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).