[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 80917240

IUPAC[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-4-10-13(19-16)17-8-18-14(10)20-12-7-9(2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyALVXIBSYUOZDPD-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.47
Rot. Bonds5

About [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine

[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80917240) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80917240
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-3-4-10-13(19-16)17-8-18-14(10)20-12-7-9(2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyALVXIBSYUOZDPD-UHFFFAOYSA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.47
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

[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
CID 80922462
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine (CID 80917240) is [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1Oc1cc(C)ccc1Cl.
What is the InChIKey of [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is ALVXIBSYUOZDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-4-10-13(19-16)17-8-18-14(10)20-12-7-9(2)5-6-11(12)15/h5-8H,3-4,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine?
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).