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

C19H31N3O2S — CID 90573006

IUPACN,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C19H31N3O2S/c1-5-8-10-21(11-9-6-2)17(23)15-12-22-18(24)16(7-3)14(4)20-19(22)25-13-15/h15H,5-13H2,1-4H3
InChIKeyWXQXRMUNMNJOBS-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.26
Rot. Bonds8

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

N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573006) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573006
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C19H31N3O2S/c1-5-8-10-21(11-9-6-2)17(23)15-12-22-18(24)16(7-3)14(4)20-19(22)25-13-15/h15H,5-13H2,1-4H3
InChIKeyWXQXRMUNMNJOBS-UHFFFAOYSA-N
XLogP3.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573006) is N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCCN(CCCC)C(=O)C1CSc2nc(C)c(CC)c(=O)n2C1.
What is the InChIKey of N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is WXQXRMUNMNJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-5-8-10-21(11-9-6-2)17(23)15-12-22-18(24)16(7-3)14(4)20-19(22)25-13-15/h15H,5-13H2,1-4H3.
What are the key properties of N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-dibutyl-7-ethyl-8-methyl-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 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).