[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine

C15H18N4OS — CID 80920614

IUPAC[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N4OS/c1-21-15-17-13(19-16)9-14(18-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyCZTDTOOMCIPFQX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.16
Rot. Bonds4

About [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine (PubChem CID 80920614) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
PubChem CID80920614
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N4OS/c1-21-15-17-13(19-16)9-14(18-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyCZTDTOOMCIPFQX-UHFFFAOYSA-N
XLogP3.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.16
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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Related Compounds

[6-(2,3-dihydro-1H-inden-5-yloxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80917282
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
CID 80880083
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine (CID 80920614) is [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Oc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine?
The InChIKey is CZTDTOOMCIPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-21-15-17-13(19-16)9-14(18-15)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine has a molecular weight of 302.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).