4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C16H22N6O2S — CID 152760594

IUPAC4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc2nc(N3CCNCC3)nc(N3CCS(=O)(=O)CC3)c2n1
InChIInChI=1S/C16H22N6O2S/c1-12-2-3-13-14(18-12)15(21-8-10-25(23,24)11-9-21)20-16(19-13)22-6-4-17-5-7-22/h2-3,17H,4-11H2,1H3
InChIKeyNJJMIYVQIFTVMB-UHFFFAOYSA-N
MW362.46 g/mol
LogP-0.02
Rot. Bonds2

About 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 152760594) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID152760594
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc2nc(N3CCNCC3)nc(N3CCS(=O)(=O)CC3)c2n1
InChIInChI=1S/C16H22N6O2S/c1-12-2-3-13-14(18-12)15(21-8-10-25(23,24)11-9-21)20-16(19-13)22-6-4-17-5-7-22/h2-3,17H,4-11H2,1H3
InChIKeyNJJMIYVQIFTVMB-UHFFFAOYSA-N
XLogP-0.02
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro-phenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 90016646
US11458138, Example 41
CID 135368573
US11458138, Example 22
CID 145744557
US11458138, Example 28
CID 145744620
Pyrido(3,2-d)pyrimidine, 2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S-oxide, dihydrochloride
CID 217734
Pyrimido(5,4-d)pyrimidin-4-amine, N-phenyl-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
CID 3061022
Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
CID 3061030
Pyrimido(5,4-d)pyrimidin-4-amine, N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
CID 3061031
Pyrido(3,2-d)pyrimidine, 2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S,S-dioxide, dihydrochloride
CID 217736
Pyrido(3,2-d)pyrimidine, 4-(1-piperazinyl)-2-(4-thiomorpholinyl)-, S-oxide, dihydrochloride
CID 217738
8-N-(cyclopropylmethyl)-4-N-(2-methylsulfonylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
CID 70683270
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(3-methylsulfonylpyrrolidin-1-yl)pyrido[3,2-d]pyrimidin-2-amine
CID 24960751

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 152760594) is 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is Cc1ccc2nc(N3CCNCC3)nc(N3CCS(=O)(=O)CC3)c2n1.
What is the InChIKey of 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is NJJMIYVQIFTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-2-3-13-14(18-12)15(21-8-10-25(23,24)11-9-21)20-16(19-13)22-6-4-17-5-7-22/h2-3,17H,4-11H2,1H3.
What are the key properties of 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 362.46 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 152760594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).