8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C18H29N3O2S — CID 90572656

IUPAC8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)N(C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)C(C)C
InChIInChI=1S/C18H29N3O2S/c1-11(2)21(12(3)4)16(23)13-9-20-15(22)8-14(18(5,6)7)19-17(20)24-10-13/h8,11-13H,9-10H2,1-7H3
InChIKeyXWMJVNLJWALGDF-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.91
Rot. Bonds3

About 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572656) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572656
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)N(C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)C(C)C
InChIInChI=1S/C18H29N3O2S/c1-11(2)21(12(3)4)16(23)13-9-20-15(22)8-14(18(5,6)7)19-17(20)24-10-13/h8,11-13H,9-10H2,1-7H3
InChIKeyXWMJVNLJWALGDF-UHFFFAOYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572656) is 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)N(C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)C(C)C.
What is the InChIKey of 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is XWMJVNLJWALGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-11(2)21(12(3)4)16(23)13-9-20-15(22)8-14(18(5,6)7)19-17(20)24-10-13/h8,11-13H,9-10H2,1-7H3.
What are the key properties of 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-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, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).