N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C20H33N3O2S — CID 90572657

IUPACN,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C20H33N3O2S/c1-6-8-10-22(11-9-7-2)18(25)15-13-23-17(24)12-16(20(3,4)5)21-19(23)26-14-15/h12,15H,6-11,13-14H2,1-5H3
InChIKeyXJJHDBZTKXCWPB-UHFFFAOYSA-N
MW379.57 g/mol
LogP3.69
Rot. Bonds7

About N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572657) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572657
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC NameN,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C20H33N3O2S/c1-6-8-10-22(11-9-7-2)18(25)15-13-23-17(24)12-16(20(3,4)5)21-19(23)26-14-15/h12,15H,6-11,13-14H2,1-5H3
InChIKeyXJJHDBZTKXCWPB-UHFFFAOYSA-N
XLogP3.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572657) is N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(CCCC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XJJHDBZTKXCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-6-8-10-22(11-9-7-2)18(25)15-13-23-17(24)12-16(20(3,4)5)21-19(23)26-14-15/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 379.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).