3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C8H15N5OS — CID 80929005

IUPAC3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(NN)nc(N)n1
InChIInChI=1S/C8H15N5OS/c1-5(3-14)4-15-7-2-6(13-10)11-8(9)12-7/h2,5,14H,3-4,10H2,1H3,(H3,9,11,12,13)
InChIKeyDVZYLEDHNHUUBF-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.06
Rot. Bonds5

About 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 80929005) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID80929005
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(NN)nc(N)n1
InChIInChI=1S/C8H15N5OS/c1-5(3-14)4-15-7-2-6(13-10)11-8(9)12-7/h2,5,14H,3-4,10H2,1H3,(H3,9,11,12,13)
InChIKeyDVZYLEDHNHUUBF-UHFFFAOYSA-N
XLogP0.06
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 66103304
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
tert-butyl 2-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 116688414
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 80929005) is 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is CC(CO)CSc1cc(NN)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is DVZYLEDHNHUUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-5(3-14)4-15-7-2-6(13-10)11-8(9)12-7/h2,5,14H,3-4,10H2,1H3,(H3,9,11,12,13).
What are the key properties of 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 229.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 80929005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).