4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide

C14H12N4O2 — CID 135516680

IUPAC4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C14H12N4O2/c1-2-16-13(19)10-5-3-9(4-6-10)12-11(7-15)14(20)18-8-17-12/h3-6,8H,2H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyQIHMMJWJLYWAHH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.06
Rot. Bonds3

About 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide

4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide (PubChem CID 135516680) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide
PubChem CID135516680
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C14H12N4O2/c1-2-16-13(19)10-5-3-9(4-6-10)12-11(7-15)14(20)18-8-17-12/h3-6,8H,2H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyQIHMMJWJLYWAHH-UHFFFAOYSA-N
XLogP1.06
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide?
The IUPAC name of 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide (CID 135516680) is 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(-c2nc[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide?
The InChIKey is QIHMMJWJLYWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-16-13(19)10-5-3-9(4-6-10)12-11(7-15)14(20)18-8-17-12/h3-6,8H,2H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide?
4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide has a molecular weight of 268.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-6-oxo-1H-pyrimidin-4-yl)-N-ethylbenzamide is sourced from PubChem (CID 135516680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).