6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C16H19ClN4O3 — CID 18096439

IUPAC6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C16H19ClN4O3/c1-3-8-21-14(18)13(15(23)20(2)16(21)24)12(22)9-19-11-7-5-4-6-10(11)17/h4-7,19H,3,8-9,18H2,1-2H3
InChIKeyZUGOZTAHCGTEGQ-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.49
Rot. Bonds6

About 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 18096439) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID18096439
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C16H19ClN4O3/c1-3-8-21-14(18)13(15(23)20(2)16(21)24)12(22)9-19-11-7-5-4-6-10(11)17/h4-7,19H,3,8-9,18H2,1-2H3
InChIKeyZUGOZTAHCGTEGQ-UHFFFAOYSA-N
XLogP1.49
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
CID 16606587
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chlorobenzoate
CID 7775795
6-amino-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9334866
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9303703
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523847
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 7797347
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287541
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 3-chlorobenzoate
CID 7838693
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7864226
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 18096439) is 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CNc2ccccc2Cl)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ZUGOZTAHCGTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-3-8-21-14(18)13(15(23)20(2)16(21)24)12(22)9-19-11-7-5-4-6-10(11)17/h4-7,19H,3,8-9,18H2,1-2H3.
What are the key properties of 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 350.81 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 18096439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).