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

C18H29N3O2S — CID 90572665

IUPACN-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C18H29N3O2S/c1-6-8-9-20(7-2)16(23)13-11-21-15(22)10-14(18(3,4)5)19-17(21)24-12-13/h10,13H,6-9,11-12H2,1-5H3
InChIKeyQAXZWAQWDOACNG-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.91
Rot. Bonds5

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

N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572665) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572665
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C18H29N3O2S/c1-6-8-9-20(7-2)16(23)13-11-21-15(22)10-14(18(3,4)5)19-17(21)24-12-13/h10,13H,6-9,11-12H2,1-5H3
InChIKeyQAXZWAQWDOACNG-UHFFFAOYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572665) is N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(CC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is QAXZWAQWDOACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-6-8-9-20(7-2)16(23)13-11-21-15(22)10-14(18(3,4)5)19-17(21)24-12-13/h10,13H,6-9,11-12H2,1-5H3.
What are the key properties of N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-tert-butyl-N-ethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).