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

C15H16N4O2S — CID 97041313

IUPAC(3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-6-16-15-19(14(9)21)7-11(8-22-15)13(20)18-12-5-3-4-10(2)17-12/h3-6,11H,7-8H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyCHUQNNOOSHLDNV-NSHDSACASA-N
MW316.39 g/mol
LogP1.62
Rot. Bonds2

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

(3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97041313) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97041313
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)n1
InChIInChI=1S/C15H16N4O2S/c1-9-6-16-15-19(14(9)21)7-11(8-22-15)13(20)18-12-5-3-4-10(2)17-12/h3-6,11H,7-8H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyCHUQNNOOSHLDNV-NSHDSACASA-N
XLogP1.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
CID 135412573
N-(6-methylpyridin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4641020
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-2-pyridinyl-
CID 4083509
1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51092311
7-methyl-N-(3-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802285
7-methyl-N-(6-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802286
8-(tert-butyl)-6-oxo-N-(pyridin-2-ylmethyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802327
7-ethyl-8-methyl-N-(3-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802377
2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methylpyridin-2-yl)acetamide
CID 16868168
N-(6-methyl-2-pyridyl)(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 44044827
N-(6-methylpyridin-2-yl)-2-{2-oxo-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-12-yl}acetamide
CID 45512100
3-methyl-N-(6-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778346

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97041313) is (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)n1.
What is the InChIKey of (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is CHUQNNOOSHLDNV-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-6-16-15-19(14(9)21)7-11(8-22-15)13(20)18-12-5-3-4-10(2)17-12/h3-6,11H,7-8H2,1-2H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyl-N-(6-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97041313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).