[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 80922462

IUPAC[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyXJFZFHROPYYEST-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.95
Rot. Bonds6

About [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine

[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80922462) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80922462
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19)
InChIKeyXJFZFHROPYYEST-UHFFFAOYSA-N
XLogP2.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.95
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-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
CID 114793144
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80911185
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine (CID 80922462) is [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1OCc1ccc(Cl)cc1.
What is the InChIKey of [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is XJFZFHROPYYEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-3-12-13(19-16)17-9-18-14(12)20-8-10-4-6-11(15)7-5-10/h4-7,9H,2-3,8,16H2,1H3,(H,17,18,19).
What are the key properties of [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine?
[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80922462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).