3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol

C10H18N4OS — CID 80997107

IUPAC3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCCc1nc(NN)c(C)c(SCCCO)n1
InChIInChI=1S/C10H18N4OS/c1-3-8-12-9(14-11)7(2)10(13-8)16-6-4-5-15/h15H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyNKZMFNAPOUVSKD-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.11
Rot. Bonds6

About 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol

3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 80997107) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID80997107
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCCc1nc(NN)c(C)c(SCCCO)n1
InChIInChI=1S/C10H18N4OS/c1-3-8-12-9(14-11)7(2)10(13-8)16-6-4-5-15/h15H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKeyNKZMFNAPOUVSKD-UHFFFAOYSA-N
XLogP1.11
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
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

N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
CID 80996460
[2-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766327
2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80994572
methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778834
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116
(6-ethylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80925717
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80994550
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80994737
5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138744
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol (CID 80997107) is 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol is CCc1nc(NN)c(C)c(SCCCO)n1.
What is the InChIKey of 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is NKZMFNAPOUVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-8-12-9(14-11)7(2)10(13-8)16-6-4-5-15/h15H,3-6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 242.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 80997107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).