7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C16H25N3OS — CID 4911889

IUPAC7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-4-8-13-14(18-9-5-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3
InChIKeyDHYNYEUVYSXUMZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.07
Rot. Bonds5

About 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4911889) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4911889
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(N2CCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-4-8-13-14(18-9-5-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3
InChIKeyDHYNYEUVYSXUMZ-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Related Compounds

7-butyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135481903
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
7-Morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4901367
8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4906761
7-(Azepan-1-yl)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4910070
6-Pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4974141
7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4974916
8-(diethylamino)-7-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 20100536
6-Ethyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23605711
6-hydroxy-7-octyl-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
CID 135408045

Frequently Asked Questions

What is the IUPAC name of 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4911889) is 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(N2CCCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is DHYNYEUVYSXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-3-4-8-13-14(18-9-5-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3.
What are the key properties of 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 307.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4911889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).