3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol

C8H13ClN4OS — CID 107772950

IUPAC3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-4(14)5(2)15-7-6(9)3-11-8(12-7)13-10/h3-5,14H,10H2,1-2H3,(H,11,12,13)
InChIKeyCOPDANDKJQQBBO-UHFFFAOYSA-N
MW248.74 g/mol
LogP1.28
Rot. Bonds4

About 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol

3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol (PubChem CID 107772950) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
PubChem CID107772950
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4OS/c1-4(14)5(2)15-7-6(9)3-11-8(12-7)13-10/h3-5,14H,10H2,1-2H3,(H,11,12,13)
InChIKeyCOPDANDKJQQBBO-UHFFFAOYSA-N
XLogP1.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 51.28
H-Bond Donors ≤ 53
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

5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80922919
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
3-[(3-amino-5-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770313
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912202
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol?
The IUPAC name of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol (CID 107772950) is 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol is CC(O)C(C)Sc1nc(NN)ncc1Cl.
What is the InChIKey of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol?
The InChIKey is COPDANDKJQQBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4OS/c1-4(14)5(2)15-7-6(9)3-11-8(12-7)13-10/h3-5,14H,10H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol?
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol has a molecular weight of 248.74 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 107772950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).