[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine

C16H25N7O3S2 — CID 66553869

IUPAC[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(NN)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C16H25N7O3S2/c1-28(24,25)23-4-2-21(3-5-23)11-12-10-13-14(27-12)15(19-16(18-13)20-17)22-6-8-26-9-7-22/h10H,2-9,11,17H2,1H3,(H,18,19,20)
InChIKeyZGZMYIZCWGOQFJ-UHFFFAOYSA-N
MW427.56 g/mol
LogP-0.11
Rot. Bonds5

About [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine

[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine (PubChem CID 66553869) has the molecular formula C16H25N7O3S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
PubChem CID66553869
Molecular FormulaC16H25N7O3S2
Molecular Weight427.56 g/mol
Exact Mass427.15
IUPAC Name[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(NN)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C16H25N7O3S2/c1-28(24,25)23-4-2-21(3-5-23)11-12-10-13-14(27-12)15(19-16(18-13)20-17)22-6-8-26-9-7-22/h10H,2-9,11,17H2,1H3,(H,18,19,20)
InChIKeyZGZMYIZCWGOQFJ-UHFFFAOYSA-N
XLogP-0.11
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 118234761
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]thieno[3,2-d]pyrimidin-2-amine
CID 66553871
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
4-[2-(2-methyl-3H-benzimidazol-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24995106
4-[2-(4,5-dihydro-1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123871024
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
4-[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032599
N-hydroxy-7-[[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-1H-indazol-3-yl]amino]heptanamide
CID 59474311

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine (CID 66553869) is [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine is CS(=O)(=O)N1CCN(Cc2cc3nc(NN)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine?
The InChIKey is ZGZMYIZCWGOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O3S2/c1-28(24,25)23-4-2-21(3-5-23)11-12-10-13-14(27-12)15(19-16(18-13)20-17)22-6-8-26-9-7-22/h10H,2-9,11,17H2,1H3,(H,18,19,20).
What are the key properties of [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine?
[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine has a molecular weight of 427.56 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 66553869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).