3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol

C10H18N4OS — CID 80655718

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol
SMILESCc1cc(NN)nc(CSC(C)CCO)n1
InChIInChI=1S/C10H18N4OS/c1-7-5-9(14-11)13-10(12-7)6-16-8(2)3-4-15/h5,8,15H,3-4,6,11H2,1-2H3,(H,12,13,14)
InChIKeyMJSNRJGZZQJLMQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.07
Rot. Bonds6

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol (PubChem CID 80655718) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol
PubChem CID80655718
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol
SMILESCc1cc(NN)nc(CSC(C)CCO)n1
InChIInChI=1S/C10H18N4OS/c1-7-5-9(14-11)13-10(12-7)6-16-8(2)3-4-15/h5,8,15H,3-4,6,11H2,1-2H3,(H,12,13,14)
InChIKeyMJSNRJGZZQJLMQ-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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

[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107871100
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80656245
[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 80656469
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65132213
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
CID 102870654
3-[(2,4,6-trimethylphenyl)methylsulfanyl]butan-1-ol
CID 66137036
3-[(5-methylpyrazin-2-yl)methylsulfanyl]butan-1-ol
CID 75422764
(2-chloro-6-methylpyrimidin-4-yl)hydrazine
CID 12581786
[2-(3-methoxypropyl)-6-methylpyrimidin-4-yl]hydrazine
CID 65092426
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol (CID 80655718) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol is Cc1cc(NN)nc(CSC(C)CCO)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol?
The InChIKey is MJSNRJGZZQJLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-5-9(14-11)13-10(12-7)6-16-8(2)3-4-15/h5,8,15H,3-4,6,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol has a molecular weight of 242.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 80655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).