N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide

C21H29ClN4O4 — CID 4825930

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H29ClN4O4/c1-5-7-13-25(16-17(23)26(12-6-2)20(29)24-18(16)27)19(28)21(3,4)30-15-10-8-14(22)9-11-15/h8-11H,5-7,12-13,23H2,1-4H3,(H,24,27,29)
InChIKeyWENDBNPLQPIHRK-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.17
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 4825930) has the molecular formula C21H29ClN4O4 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID4825930
Molecular FormulaC21H29ClN4O4
Molecular Weight436.94 g/mol
Exact Mass436.19
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H29ClN4O4/c1-5-7-13-25(16-17(23)26(12-6-2)20(29)24-18(16)27)19(28)21(3,4)30-15-10-8-14(22)9-11-15/h8-11H,5-7,12-13,23H2,1-4H3,(H,24,27,29)
InChIKeyWENDBNPLQPIHRK-UHFFFAOYSA-N
XLogP3.17
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide 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 N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide (CID 4825930) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide is CCCCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is WENDBNPLQPIHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O4/c1-5-7-13-25(16-17(23)26(12-6-2)20(29)24-18(16)27)19(28)21(3,4)30-15-10-8-14(22)9-11-15/h8-11H,5-7,12-13,23H2,1-4H3,(H,24,27,29).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 436.94 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 4825930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).