4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile

C14H15N5O2 — CID 80664805

IUPAC4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nc(C)cc(NN)n1
InChIInChI=1S/C14H15N5O2/c1-9-5-13(19-16)18-14(17-9)8-21-11-4-3-10(7-15)6-12(11)20-2/h3-6H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyLQCXCUHEZPTTCS-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.53
Rot. Bonds5

About 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile

4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile (PubChem CID 80664805) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile
PubChem CID80664805
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nc(C)cc(NN)n1
InChIInChI=1S/C14H15N5O2/c1-9-5-13(19-16)18-14(17-9)8-21-11-4-3-10(7-15)6-12(11)20-2/h3-6H,8,16H2,1-2H3,(H,17,18,19)
InChIKeyLQCXCUHEZPTTCS-UHFFFAOYSA-N
XLogP1.53
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 62884936
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
[2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80663620
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile (CID 80664805) is 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1nc(C)cc(NN)n1.
What is the InChIKey of 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile?
The InChIKey is LQCXCUHEZPTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-5-13(19-16)18-14(17-9)8-21-11-4-3-10(7-15)6-12(11)20-2/h3-6H,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile?
4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 80664805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).