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

C17H27N3O2S — CID 90572660

IUPACN-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C17H27N3O2S/c1-6-7-8-19(5)15(22)12-10-20-14(21)9-13(17(2,3)4)18-16(20)23-11-12/h9,12H,6-8,10-11H2,1-5H3
InChIKeyBSAWSVMPNZYWDP-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.52
Rot. Bonds4

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

N-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572660) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572660
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C17H27N3O2S/c1-6-7-8-19(5)15(22)12-10-20-14(21)9-13(17(2,3)4)18-16(20)23-11-12/h9,12H,6-8,10-11H2,1-5H3
InChIKeyBSAWSVMPNZYWDP-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.52
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-methyl-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-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572660) is N-butyl-8-tert-butyl-N-methyl-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-methyl-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-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(C)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of N-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is BSAWSVMPNZYWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-6-7-8-19(5)15(22)12-10-20-14(21)9-13(17(2,3)4)18-16(20)23-11-12/h9,12H,6-8,10-11H2,1-5H3.
What are the key properties of N-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-butyl-8-tert-butyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.52, 4 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-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).