6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile

C12H11N5O2 — CID 167888568

IUPAC6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C12H11N5O2/c13-8-9-2-1-3-10(15-9)14-5-7-17-6-4-11(18)16-12(17)19/h1-4,6H,5,7H2,(H,14,15)(H,16,18,19)
InChIKeyICXJPZOKLQEAHK-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.08
Rot. Bonds4

About 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile

6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 167888568) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID167888568
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCn2ccc(=O)[nH]c2=O)n1
InChIInChI=1S/C12H11N5O2/c13-8-9-2-1-3-10(15-9)14-5-7-17-6-4-11(18)16-12(17)19/h1-4,6H,5,7H2,(H,14,15)(H,16,18,19)
InChIKeyICXJPZOKLQEAHK-UHFFFAOYSA-N
XLogP-0.08
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile (CID 167888568) is 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCCn2ccc(=O)[nH]c2=O)n1.
What is the InChIKey of 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is ICXJPZOKLQEAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-8-9-2-1-3-10(15-9)14-5-7-17-6-4-11(18)16-12(17)19/h1-4,6H,5,7H2,(H,14,15)(H,16,18,19).
What are the key properties of 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile?
6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 257.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dioxopyrimidin-1-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 167888568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).