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

C20H33N3O2S — CID 90572658

IUPAC8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C20H33N3O2S/c1-13(2)9-22(10-14(3)4)18(25)15-11-23-17(24)8-16(20(5,6)7)21-19(23)26-12-15/h8,13-15H,9-12H2,1-7H3
InChIKeyTXJFGBPFPNZMMA-UHFFFAOYSA-N
MW379.57 g/mol
LogP3.40
Rot. Bonds5

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

8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572658) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572658
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Name8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C20H33N3O2S/c1-13(2)9-22(10-14(3)4)18(25)15-11-23-17(24)8-16(20(5,6)7)21-19(23)26-12-15/h8,13-15H,9-12H2,1-7H3
InChIKeyTXJFGBPFPNZMMA-UHFFFAOYSA-N
XLogP3.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572658) is 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is TXJFGBPFPNZMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-13(2)9-22(10-14(3)4)18(25)15-11-23-17(24)8-16(20(5,6)7)21-19(23)26-12-15/h8,13-15H,9-12H2,1-7H3.
What are the key properties of 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N,N-bis(2-methylpropyl)-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 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).