2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile

C14H11N3O2 — CID 70547650

IUPAC2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile
SMILESC/C=C\c1ccccc1-n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C14H11N3O2/c1-2-5-10-6-3-4-7-12(10)17-9-11(8-15)13(18)16-14(17)19/h2-7,9H,1H3,(H,16,18,19)/b5-2-
InChIKeyJAMGMUWPXVUAQO-DJWKRKHSSA-N
MW253.26 g/mol
LogP1.43
Rot. Bonds2

About 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile

2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile (PubChem CID 70547650) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile
PubChem CID70547650
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile
SMILESC/C=C\c1ccccc1-n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C14H11N3O2/c1-2-5-10-6-3-4-7-12(10)17-9-11(8-15)13(18)16-14(17)19/h2-7,9H,1H3,(H,16,18,19)/b5-2-
InChIKeyJAMGMUWPXVUAQO-DJWKRKHSSA-N
XLogP1.43
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile (CID 70547650) is 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile is C/C=C\c1ccccc1-n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile?
The InChIKey is JAMGMUWPXVUAQO-DJWKRKHSSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-2-5-10-6-3-4-7-12(10)17-9-11(8-15)13(18)16-14(17)19/h2-7,9H,1H3,(H,16,18,19)/b5-2-.
What are the key properties of 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile?
2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile has a molecular weight of 253.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[2-[(Z)-prop-1-enyl]phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 70547650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).