[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine

C12H16N4OS — CID 80655293

IUPAC[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COCCc2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-9-7-11(16-13)15-12(14-9)8-17-5-4-10-3-2-6-18-10/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,15,16)
InChIKeyKZVLKBJKUPRSGY-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.89
Rot. Bonds6

About [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine

[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 80655293) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID80655293
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COCCc2cccs2)n1
InChIInChI=1S/C12H16N4OS/c1-9-7-11(16-13)15-12(14-9)8-17-5-4-10-3-2-6-18-10/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,15,16)
InChIKeyKZVLKBJKUPRSGY-UHFFFAOYSA-N
XLogP1.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-thiophen-2-ylethoxymethyl)-4-pyridinyl]hydrazine
CID 79259758
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
[2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80663620
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
[6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656225
[2-(3-methoxypropyl)-6-methylpyrimidin-4-yl]hydrazine
CID 65092426
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine (CID 80655293) is [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(COCCc2cccs2)n1.
What is the InChIKey of [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KZVLKBJKUPRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-7-11(16-13)15-12(14-9)8-17-5-4-10-3-2-6-18-10/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,15,16).
What are the key properties of [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine?
[6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-thiophen-2-ylethoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80655293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).