6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C20H25ClN4O4 — CID 56525760

IUPAC6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25ClN4O4/c1-12(13-3-5-14(21)6-4-13)25(15-7-8-15)11-16(26)17-18(22)24(9-10-29-2)20(28)23-19(17)27/h3-6,12,15H,7-11,22H2,1-2H3,(H,23,27,28)
InChIKeyZNGIKBNWACYTKM-UHFFFAOYSA-N
MW420.90 g/mol
LogP1.83
Rot. Bonds9

About 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 56525760) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID56525760
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H25ClN4O4/c1-12(13-3-5-14(21)6-4-13)25(15-7-8-15)11-16(26)17-18(22)24(9-10-29-2)20(28)23-19(17)27/h3-6,12,15H,7-11,22H2,1-2H3,(H,23,27,28)
InChIKeyZNGIKBNWACYTKM-UHFFFAOYSA-N
XLogP1.83
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 56525760) is 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is ZNGIKBNWACYTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c1-12(13-3-5-14(21)6-4-13)25(15-7-8-15)11-16(26)17-18(22)24(9-10-29-2)20(28)23-19(17)27/h3-6,12,15H,7-11,22H2,1-2H3,(H,23,27,28).
What are the key properties of 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 420.90 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56525760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).