5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile

C16H16N4O — CID 71520805

IUPAC5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(N)n2)ccc1OCC1CCC1
InChIInChI=1S/C16H16N4O/c17-9-13-8-12(14-6-7-19-16(18)20-14)4-5-15(13)21-10-11-2-1-3-11/h4-8,11H,1-3,10H2,(H2,18,19,20)
InChIKeyADZXULSZFPRIOH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.78
Rot. Bonds4

About 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile

5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile (PubChem CID 71520805) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile
PubChem CID71520805
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(N)n2)ccc1OCC1CCC1
InChIInChI=1S/C16H16N4O/c17-9-13-8-12(14-6-7-19-16(18)20-14)4-5-15(13)21-10-11-2-1-3-11/h4-8,11H,1-3,10H2,(H2,18,19,20)
InChIKeyADZXULSZFPRIOH-UHFFFAOYSA-N
XLogP2.78
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile (CID 71520805) is 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile is N#Cc1cc(-c2ccnc(N)n2)ccc1OCC1CCC1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile?
The InChIKey is ADZXULSZFPRIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-13-8-12(14-6-7-19-16(18)20-14)4-5-15(13)21-10-11-2-1-3-11/h4-8,11H,1-3,10H2,(H2,18,19,20).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile?
5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(cyclobutylmethoxy)benzonitrile is sourced from PubChem (CID 71520805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).