[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine

C15H17ClN4O — CID 80969541

IUPAC[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Cl)cc(C)c1Oc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-8-5-11(16)6-9(2)14(8)21-13-7-12(20-17)18-15(19-13)10-3-4-10/h5-7,10H,3-4,17H2,1-2H3,(H,18,19,20)
InChIKeyBTFDHEPDRPRJDU-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.70
Rot. Bonds4

About [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine

[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine (PubChem CID 80969541) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
PubChem CID80969541
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Cl)cc(C)c1Oc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-8-5-11(16)6-9(2)14(8)21-13-7-12(20-17)18-15(19-13)10-3-4-10/h5-7,10H,3-4,17H2,1-2H3,(H,18,19,20)
InChIKeyBTFDHEPDRPRJDU-UHFFFAOYSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.70
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

[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80969675
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
[2-cyclopropyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80969664
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
(6-cyclohexyloxy-2-cyclopropylpyrimidin-4-yl)hydrazine
CID 80968842
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)oxybenzamide
CID 80969640
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine (CID 80969541) is [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine is Cc1cc(Cl)cc(C)c1Oc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine?
The InChIKey is BTFDHEPDRPRJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-8-5-11(16)6-9(2)14(8)21-13-7-12(20-17)18-15(19-13)10-3-4-10/h5-7,10H,3-4,17H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine?
[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine has a molecular weight of 304.78 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).