[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine

C13H13ClN4O — CID 80917000

IUPAC[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H13ClN4O/c14-11-7-16-13(18-15)17-12(11)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H,16,17,18)
InChIKeyQLXVSZFLWQQWPB-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.70
Rot. Bonds3

About [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine

[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine (PubChem CID 80917000) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
PubChem CID80917000
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H13ClN4O/c14-11-7-16-13(18-15)17-12(11)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H,16,17,18)
InChIKeyQLXVSZFLWQQWPB-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80873844
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
CID 80882067
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088
[5-chloro-4-(2-chloro-4-fluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80918493
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494
[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine
CID 80909592
[2,5-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80920615

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine (CID 80917000) is [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine is NNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine?
The InChIKey is QLXVSZFLWQQWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-7-16-13(18-15)17-12(11)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H,16,17,18).
What are the key properties of [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine has a molecular weight of 276.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80917000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).