5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile

C12H10N4O — CID 55108435

IUPAC5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(N)ccc1OCc1ncccn1
InChIInChI=1S/C12H10N4O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,8,14H2
InChIKeySRYHFLMEJQZIEZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile

5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile (PubChem CID 55108435) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
PubChem CID55108435
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
SMILESN#Cc1cc(N)ccc1OCc1ncccn1
InChIInChI=1S/C12H10N4O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,8,14H2
InChIKeySRYHFLMEJQZIEZ-UHFFFAOYSA-N
XLogP1.51
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646
5-amino-2-(cyanomethoxy)benzonitrile
CID 61269952
5-amino-2-[(4-iodophenyl)methoxy]benzonitrile
CID 65499926
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731
5-amino-2-(1-benzothiophen-3-ylmethoxy)benzonitrile
CID 63744509
2-(4-amino-2-cyanophenoxy)acetate
CID 23062559
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
5-amino-2-(3-cyanopropoxy)benzonitrile
CID 61267359
5-amino-2-(3-fluoropropoxy)benzonitrile
CID 81107247
5-amino-2-[(1-methylpyrazol-4-yl)methoxy]benzonitrile
CID 55040844
5-amino-2-(5-hydroxypentoxy)benzonitrile
CID 62227075

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile?
The IUPAC name of 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile (CID 55108435) is 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile is N#Cc1cc(N)ccc1OCc1ncccn1.
What is the InChIKey of 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile?
The InChIKey is SRYHFLMEJQZIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,8,14H2.
What are the key properties of 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile?
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 55108435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).