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

C13H19N3O3S — CID 71802267

IUPACN-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C13H19N3O3S/c1-8-4-14-13-16(12(8)18)5-10(7-20-13)11(17)15-9(2)6-19-3/h4,9-10H,5-7H2,1-3H3,(H,15,17)
InChIKeyLTMRDULGZGHEJQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.42
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802267) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802267
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C13H19N3O3S/c1-8-4-14-13-16(12(8)18)5-10(7-20-13)11(17)15-9(2)6-19-3/h4,9-10H,5-7H2,1-3H3,(H,15,17)
InChIKeyLTMRDULGZGHEJQ-UHFFFAOYSA-N
XLogP0.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802291
N-cyclopropyl-(R)-6-methyl-5-oxo-1-thia-4a,8-diaza-3,4-dihydro-2H,5H-naphthalene-3-carboxamide
CID 97041318
7-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572614
N-(1-Methoxypropan-2-YL)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 17248348
N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3873686
N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 23993090
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564192
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
N,N-diisopropyl-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572328
N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572331
N-(2-hydroxyethyl)-N,7-dimethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572334
N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572335

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802267) is N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COCC(C)NC(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is LTMRDULGZGHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-4-14-13-16(12(8)18)5-10(7-20-13)11(17)15-9(2)6-19-3/h4,9-10H,5-7H2,1-3H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).