3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile

C11H9N5O — CID 142345125

IUPAC3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESCc1cnc(Nc2cnc(C#N)c(O)c2)nc1
InChIInChI=1S/C11H9N5O/c1-7-4-14-11(15-5-7)16-8-2-10(17)9(3-12)13-6-8/h2,4-6,17H,1H3,(H,14,15,16)
InChIKeyUXTMAEZWJSVVGP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile

3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 142345125) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
PubChem CID142345125
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESCc1cnc(Nc2cnc(C#N)c(O)c2)nc1
InChIInChI=1S/C11H9N5O/c1-7-4-14-11(15-5-7)16-8-2-10(17)9(3-12)13-6-8/h2,4-6,17H,1H3,(H,14,15,16)
InChIKeyUXTMAEZWJSVVGP-UHFFFAOYSA-N
XLogP1.50
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile (CID 142345125) is 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is Cc1cnc(Nc2cnc(C#N)c(O)c2)nc1.
What is the InChIKey of 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is UXTMAEZWJSVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-4-14-11(15-5-7)16-8-2-10(17)9(3-12)13-6-8/h2,4-6,17H,1H3,(H,14,15,16).
What are the key properties of 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile?
3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 227.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(5-methylpyrimidin-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 142345125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).