1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile

C8H7N3O2 — CID 2779160

IUPAC1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12/h4,6H,1-2H2,(H,10,12,13)
InChIKeyJYEPSAYHKIJMKT-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.26
Rot. Bonds1

About 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile

1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 2779160) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID2779160
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12/h4,6H,1-2H2,(H,10,12,13)
InChIKeyJYEPSAYHKIJMKT-UHFFFAOYSA-N
XLogP-0.26
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile (CID 2779160) is 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is JYEPSAYHKIJMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-3-5-4-11(6-1-2-6)8(13)10-7(5)12/h4,6H,1-2H2,(H,10,12,13).
What are the key properties of 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 177.16 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 2779160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).