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

C15H23N3O2S — CID 90572327

IUPAC7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O2S/c1-4-6-17(7-5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyCCJFFAZTOYTZSE-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.92
Rot. Bonds5

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

7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572327) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572327
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O2S/c1-4-6-17(7-5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3
InChIKeyCCJFFAZTOYTZSE-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572327) is 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCN(CCC)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is CCJFFAZTOYTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-6-17(7-5-2)14(20)12-9-18-13(19)11(3)8-16-15(18)21-10-12/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-N,N-dipropyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).