4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid

C15H25N3O3 — CID 66319219

IUPAC4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
SMILESCCOc1cc(NCCC(CCC(=O)O)C(C)C)ncn1
InChIInChI=1S/C15H25N3O3/c1-4-21-14-9-13(17-10-18-14)16-8-7-12(11(2)3)5-6-15(19)20/h9-12H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUBOVREVDFCGWMQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.81
Rot. Bonds10

About 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid

4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid (PubChem CID 66319219) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
PubChem CID66319219
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid
SMILESCCOc1cc(NCCC(CCC(=O)O)C(C)C)ncn1
InChIInChI=1S/C15H25N3O3/c1-4-21-14-9-13(17-10-18-14)16-8-7-12(11(2)3)5-6-15(19)20/h9-12H,4-8H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyUBOVREVDFCGWMQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid 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 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid (CID 66319219) is 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid is CCOc1cc(NCCC(CCC(=O)O)C(C)C)ncn1.
What is the InChIKey of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid?
The InChIKey is UBOVREVDFCGWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-21-14-9-13(17-10-18-14)16-8-7-12(11(2)3)5-6-15(19)20/h9-12H,4-8H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid?
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 66319219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).