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

C16H26N4O2S — CID 4974739

IUPAC8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H26N4O2S/c1-2-3-4-6-13-14(18-19-8-10-22-11-9-19)17-16-20(15(13)21)7-5-12-23-16/h18H,2-12H2,1H3
InChIKeyZOOAINBRHPHFTD-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.13
Rot. Bonds6

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

8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4974739) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4974739
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H26N4O2S/c1-2-3-4-6-13-14(18-19-8-10-22-11-9-19)17-16-20(15(13)21)7-5-12-23-16/h18H,2-12H2,1H3
InChIKeyZOOAINBRHPHFTD-UHFFFAOYSA-N
XLogP2.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4974739) is 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is ZOOAINBRHPHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-3-4-6-13-14(18-19-8-10-22-11-9-19)17-16-20(15(13)21)7-5-12-23-16/h18H,2-12H2,1H3.
What are the key properties of 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 338.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(morpholin-4-ylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4974739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).