2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C17H17IN4O2S — CID 142269639

IUPAC2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NNc2ncnc3sc(C(C)C)cc23)cc(I)c1O
InChIInChI=1S/C17H17IN4O2S/c1-9(2)14-6-11-16(19-8-20-17(11)25-14)22-21-7-10-4-12(18)15(23)13(5-10)24-3/h4-9,23H,1-3H3,(H,19,20,22)
InChIKeyBIVCPWODNXICJV-UHFFFAOYSA-N
MW468.32 g/mol
LogP4.58
Rot. Bonds5

About 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 142269639) has the molecular formula C17H17IN4O2S and a molecular weight of 468.32 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID142269639
Molecular FormulaC17H17IN4O2S
Molecular Weight468.32 g/mol
Exact Mass468.01
IUPAC Name2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(C=NNc2ncnc3sc(C(C)C)cc23)cc(I)c1O
InChIInChI=1S/C17H17IN4O2S/c1-9(2)14-6-11-16(19-8-20-17(11)25-14)22-21-7-10-4-12(18)15(23)13(5-10)24-3/h4-9,23H,1-3H3,(H,19,20,22)
InChIKeyBIVCPWODNXICJV-UHFFFAOYSA-N
XLogP4.58
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yl-N-(1,3-thiazol-5-ylmethylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 139987673
N-[(2-chlorophenyl)methylideneamino]-6-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 139987696
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-bromo-6-methoxy-4-[(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
CID 3135530
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
CID 135824305
4-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135702223
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
4-[(Z)-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136654701
2,6-dimethoxy-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135781520
2-methoxy-4-[(Z)-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylhydrazinylidene)methyl]phenol
CID 135938380
8-[(2Z)-2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
CID 137172465

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 142269639) is 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(C=NNc2ncnc3sc(C(C)C)cc23)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BIVCPWODNXICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN4O2S/c1-9(2)14-6-11-16(19-8-20-17(11)25-14)22-21-7-10-4-12(18)15(23)13(5-10)24-3/h4-9,23H,1-3H3,(H,19,20,22).
What are the key properties of 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 468.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[[(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 142269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).