2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile

C15H17N5O — CID 80911185

IUPAC2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCCCc1c(NN)ncnc1Oc1ccc(CC#N)cc1
InChIInChI=1S/C15H17N5O/c1-2-3-13-14(20-17)18-10-19-15(13)21-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8,17H2,1H3,(H,18,19,20)
InChIKeyHEAFUHNUIDTLFM-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile

2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile (PubChem CID 80911185) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
PubChem CID80911185
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCCCc1c(NN)ncnc1Oc1ccc(CC#N)cc1
InChIInChI=1S/C15H17N5O/c1-2-3-13-14(20-17)18-10-19-15(13)21-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8,17H2,1H3,(H,18,19,20)
InChIKeyHEAFUHNUIDTLFM-UHFFFAOYSA-N
XLogP2.57
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.57
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

2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
CID 80922462
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile (CID 80911185) is 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile is CCCc1c(NN)ncnc1Oc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The InChIKey is HEAFUHNUIDTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-3-13-14(20-17)18-10-19-15(13)21-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8,17H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile is sourced from PubChem (CID 80911185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).