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

C19H31N3O2S — CID 90573007

IUPAC7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2
InChIInChI=1S/C19H31N3O2S/c1-7-16-14(6)20-19-22(18(16)24)10-15(11-25-19)17(23)21(8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyJOHLTOLFTHVAQO-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.98
Rot. Bonds6

About 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573007) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573007
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2
InChIInChI=1S/C19H31N3O2S/c1-7-16-14(6)20-19-22(18(16)24)10-15(11-25-19)17(23)21(8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3
InChIKeyJOHLTOLFTHVAQO-UHFFFAOYSA-N
XLogP2.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573007) is 7-ethyl-8-methyl-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 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)N(CC(C)C)CC(C)C)CS2.
What is the InChIKey of 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JOHLTOLFTHVAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-7-16-14(6)20-19-22(18(16)24)10-15(11-25-19)17(23)21(8-12(2)3)9-13(4)5/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 7-ethyl-8-methyl-N,N-bis(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-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 365.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-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 90573007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).