[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C15H22N4OS — CID 116777447

IUPAC[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCOC1(c2nc(NN)c3ccsc3n2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N4OS/c1-14(2)5-7-15(20-3,8-6-14)13-17-11(19-16)10-4-9-21-12(10)18-13/h4,9H,5-8,16H2,1-3H3,(H,17,18,19)
InChIKeyAELUMABHIPTYOA-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.42
Rot. Bonds3

About [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 116777447) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID116777447
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCOC1(c2nc(NN)c3ccsc3n2)CCC(C)(C)CC1
InChIInChI=1S/C15H22N4OS/c1-14(2)5-7-15(20-3,8-6-14)13-17-11(19-16)10-4-9-21-12(10)18-13/h4,9H,5-8,16H2,1-3H3,(H,17,18,19)
InChIKeyAELUMABHIPTYOA-UHFFFAOYSA-N
XLogP3.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777429
2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 116728373
[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65281811
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777433
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
[2-[methoxy(phenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777438
[2-[(3,3-dimethylmorpholin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245346
methyl 3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 55051000

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 116777447) is [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is COC1(c2nc(NN)c3ccsc3n2)CCC(C)(C)CC1.
What is the InChIKey of [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is AELUMABHIPTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-14(2)5-7-15(20-3,8-6-14)13-17-11(19-16)10-4-9-21-12(10)18-13/h4,9H,5-8,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 306.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).