5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C14H14Cl2N4O3 — CID 71766954

IUPAC5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14Cl2N4O3/c15-8-4-3-7(6-9(8)16)2-1-5-18-13(22)11-10(17)12(21)20-14(23)19-11/h3-4,6H,1-2,5,17H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRSYWPTFMSDYBHJ-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.31
Rot. Bonds5

About 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 71766954) has the molecular formula C14H14Cl2N4O3 and a molecular weight of 357.20 g/mol. Its IUPAC name is 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID71766954
Molecular FormulaC14H14Cl2N4O3
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14Cl2N4O3/c15-8-4-3-7(6-9(8)16)2-1-5-18-13(22)11-10(17)12(21)20-14(23)19-11/h3-4,6H,1-2,5,17H2,(H,18,22)(H2,19,20,21,23)
InChIKeyRSYWPTFMSDYBHJ-UHFFFAOYSA-N
XLogP1.31
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide 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-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 71766954) is 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Nc1c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is RSYWPTFMSDYBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3/c15-8-4-3-7(6-9(8)16)2-1-5-18-13(22)11-10(17)12(21)20-14(23)19-11/h3-4,6H,1-2,5,17H2,(H,18,22)(H2,19,20,21,23).
What are the key properties of 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(3,4-dichlorophenyl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 71766954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).