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

C13H19N3O3S — CID 97041257

IUPAC(3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@@H]1CSc2ncc(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)/t9-,10-/m0/s1
InChIKeyLTMRDULGZGHEJQ-UWVGGRQHSA-N
MW297.38 g/mol
LogP0.42
Rot. Bonds4

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

(3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97041257) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97041257
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)[C@@H]1CSc2ncc(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)/t9-,10-/m0/s1
InChIKeyLTMRDULGZGHEJQ-UWVGGRQHSA-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

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

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572537
N-(3-hydroxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572474
N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
(3R)-N-(2,5-difluorophenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041302
N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572612
(3R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105457
N-(2,1,3-benzothiadiazol-4-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572322
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572532
(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 97041295
N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573343
(3R)-1-(3,4-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40965706

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-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 (3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97041257) is (3R)-N-[(2S)-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 (3R)-N-[(2S)-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 (3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COC[C@H](C)NC(=O)[C@@H]1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of (3R)-N-[(2S)-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-UWVGGRQHSA-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)/t9-,10-/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-N-[(2S)-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 (3R)-N-[(2S)-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 97041257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).