7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H23N3O2S — CID 90572328

IUPAC7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(C(C)C)C(C)C)CS2
InChIInChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)14(20)12-7-17-13(19)11(5)6-16-15(17)21-8-12/h6,9-10,12H,7-8H2,1-5H3
InChIKeyGEPGZPKTXXGEDJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.92
Rot. Bonds3

About 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572328) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572328
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(C(C)C)C(C)C)CS2
InChIInChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)14(20)12-7-17-13(19)11(5)6-16-15(17)21-8-12/h6,9-10,12H,7-8H2,1-5H3
InChIKeyGEPGZPKTXXGEDJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572328) is 7-methyl-6-oxo-N,N-di(propan-2-yl)-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-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)N(C(C)C)C(C)C)CS2.
What is the InChIKey of 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is GEPGZPKTXXGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)18(10(3)4)14(20)12-7-17-13(19)11(5)6-16-15(17)21-8-12/h6,9-10,12H,7-8H2,1-5H3.
What are the key properties of 7-methyl-6-oxo-N,N-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-methyl-6-oxo-N,N-di(propan-2-yl)-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, 3 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-di(propan-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).