4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile

C11H8N4O — CID 142442040

IUPAC4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2cnc(N)nc2)cc1O
InChIInChI=1S/C11H8N4O/c12-4-8-2-1-7(3-10(8)16)9-5-14-11(13)15-6-9/h1-3,5-6,16H,(H2,13,14,15)
InChIKeyRSGLMQKTRYRMLX-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.30
Rot. Bonds1

About 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile

4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile (PubChem CID 142442040) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
PubChem CID142442040
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2cnc(N)nc2)cc1O
InChIInChI=1S/C11H8N4O/c12-4-8-2-1-7(3-10(8)16)9-5-14-11(13)15-6-9/h1-3,5-6,16H,(H2,13,14,15)
InChIKeyRSGLMQKTRYRMLX-UHFFFAOYSA-N
XLogP1.30
TPSA95.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile (CID 142442040) is 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile is N#Cc1ccc(-c2cnc(N)nc2)cc1O.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile?
The InChIKey is RSGLMQKTRYRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-4-8-2-1-7(3-10(8)16)9-5-14-11(13)15-6-9/h1-3,5-6,16H,(H2,13,14,15).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile?
4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile has a molecular weight of 212.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile is sourced from PubChem (CID 142442040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).