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

C16H27N3O2S — CID 4911893

IUPAC8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(OCCN(C)C)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H27N3O2S/c1-4-5-6-8-13-14(21-11-10-18(2)3)17-16-19(15(13)20)9-7-12-22-16/h4-12H2,1-3H3
InChIKeyBXZJLPYVQYLTHJ-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.41
Rot. Bonds8

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

8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4911893) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4911893
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(OCCN(C)C)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H27N3O2S/c1-4-5-6-8-13-14(21-11-10-18(2)3)17-16-19(15(13)20)9-7-12-22-16/h4-12H2,1-3H3
InChIKeyBXZJLPYVQYLTHJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4911893) is 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(OCCN(C)C)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is BXZJLPYVQYLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-5-6-8-13-14(21-11-10-18(2)3)17-16-19(15(13)20)9-7-12-22-16/h4-12H2,1-3H3.
What are the key properties of 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 325.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethoxy]-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4911893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).