4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid

C13H21N3O3 — CID 66318963

IUPAC4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid
SMILESCCC(CCNc1cc(OC)ncn1)CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-3-10(4-5-13(17)18)6-7-14-11-8-12(19-2)16-9-15-11/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyUBUZJMIYDZSXAD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.18
Rot. Bonds9

About 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid

4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid (PubChem CID 66318963) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid
PubChem CID66318963
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid
SMILESCCC(CCNc1cc(OC)ncn1)CCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-3-10(4-5-13(17)18)6-7-14-11-8-12(19-2)16-9-15-11/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyUBUZJMIYDZSXAD-UHFFFAOYSA-N
XLogP2.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S*,4S*)-1-(2-amino-6-methoxy-4-pyrimidinyl)-4-propyl-3-pyrrolidinecarboxylic acid
CID 72872612
5-(6-Methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 155273140
(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210171
(2S)-2-[(4-methoxypyrimidin-2-yl)amino]-5,5-dimethylhexanoic acid
CID 172210193
(2S)-2-[(2,6-dimethoxypyrimidin-4-yl)amino]-5,5-dimethylhexanoic acid
CID 172210239
5,5-Dimethylhexanoic acid;6-methoxypyrimidin-4-amine
CID 172309226
4-[(6-Methoxy-2-methylpyrimidin-4-yl)amino]butanoic acid
CID 15700751
6-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43378923
7-[(4-Methoxypyrimidin-2-yl)amino]heptanoic acid
CID 43378929
2-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43470263
2-[(4-Methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
2-Cyclohexyl-2-[(4-methoxypyrimidin-2-yl)amino]acetic acid
CID 54901729

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid (CID 66318963) is 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid is CCC(CCNc1cc(OC)ncn1)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is UBUZJMIYDZSXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-10(4-5-13(17)18)6-7-14-11-8-12(19-2)16-9-15-11/h8-10H,3-7H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid?
4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(6-methoxypyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 66318963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).