2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C21H30FN5O4 — CID 35545981

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)NCc2ccc(F)c(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30FN5O4/c1-4-5-8-27-19(23)18(20(29)25-21(27)30)26(9-10-31-3)13-17(28)24-12-15-6-7-16(22)14(2)11-15/h6-7,11H,4-5,8-10,12-13,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyOQCWJPVAAFZHPC-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.14
Rot. Bonds11

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 35545981) has the molecular formula C21H30FN5O4 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID35545981
Molecular FormulaC21H30FN5O4
Molecular Weight435.50 g/mol
Exact Mass435.23
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)NCc2ccc(F)c(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30FN5O4/c1-4-5-8-27-19(23)18(20(29)25-21(27)30)26(9-10-31-3)13-17(28)24-12-15-6-7-16(22)14(2)11-15/h6-7,11H,4-5,8-10,12-13,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyOQCWJPVAAFZHPC-UHFFFAOYSA-N
XLogP1.14
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide 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 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 35545981) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is CCCCn1c(N)c(N(CCOC)CC(=O)NCc2ccc(F)c(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is OQCWJPVAAFZHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O4/c1-4-5-8-27-19(23)18(20(29)25-21(27)30)26(9-10-31-3)13-17(28)24-12-15-6-7-16(22)14(2)11-15/h6-7,11H,4-5,8-10,12-13,23H2,1-3H3,(H,24,28)(H,25,29,30).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 1.14, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 35545981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).