[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

C14H18N4OS — CID 66086445

IUPAC[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(CSc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-5-12(6-10)20-9-14-16-11(8-19-2)7-13(17-14)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyQCKLSRXVGRIKOZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.51
Rot. Bonds6

About [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (PubChem CID 66086445) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
PubChem CID66086445
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(CSc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-5-12(6-10)20-9-14-16-11(8-19-2)7-13(17-14)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyQCKLSRXVGRIKOZ-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (CID 66086445) is [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(CSc2cccc(C)c2)n1.
What is the InChIKey of [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The InChIKey is QCKLSRXVGRIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-4-3-5-12(6-10)20-9-14-16-11(8-19-2)7-13(17-14)18-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66086445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).