5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione

C13H14ClN3O2 — CID 66424589

IUPAC5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(NCCn2cc(Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14ClN3O2/c1-9-2-4-10(5-3-9)15-6-7-17-8-11(14)12(18)16-13(17)19/h2-5,8,15H,6-7H2,1H3,(H,16,18,19)
InChIKeyMJKFTUCTGHGBQJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione (PubChem CID 66424589) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione
PubChem CID66424589
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(NCCn2cc(Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H14ClN3O2/c1-9-2-4-10(5-3-9)15-6-7-17-8-11(14)12(18)16-13(17)19/h2-5,8,15H,6-7H2,1H3,(H,16,18,19)
InChIKeyMJKFTUCTGHGBQJ-UHFFFAOYSA-N
XLogP1.61
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione 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 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione (CID 66424589) is 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione is Cc1ccc(NCCn2cc(Cl)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione?
The InChIKey is MJKFTUCTGHGBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-9-2-4-10(5-3-9)15-6-7-17-8-11(14)12(18)16-13(17)19/h2-5,8,15H,6-7H2,1H3,(H,16,18,19).
What are the key properties of 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).