N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide

C19H25ClN4O5 — CID 2478667

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25ClN4O5/c1-3-4-9-24-17(21)16(18(26)22-19(24)27)23(10-11-28-2)15(25)12-29-14-7-5-13(20)6-8-14/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,26,27)
InChIKeyGNMDFDYEKHLYAW-UHFFFAOYSA-N
MW424.89 g/mol
LogP1.63
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 2478667) has the molecular formula C19H25ClN4O5 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID2478667
Molecular FormulaC19H25ClN4O5
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25ClN4O5/c1-3-4-9-24-17(21)16(18(26)22-19(24)27)23(10-11-28-2)15(25)12-29-14-7-5-13(20)6-8-14/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,26,27)
InChIKeyGNMDFDYEKHLYAW-UHFFFAOYSA-N
XLogP1.63
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide (CID 2478667) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide is CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is GNMDFDYEKHLYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O5/c1-3-4-9-24-17(21)16(18(26)22-19(24)27)23(10-11-28-2)15(25)12-29-14-7-5-13(20)6-8-14/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 424.89 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2478667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).