2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

C20H26N4O3 — CID 124954262

IUPAC2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCNc1cc([C@H]2CCCN2Cc2ccc(OCC(=O)O)cc2)nc(C)n1
InChIInChI=1S/C20H26N4O3/c1-3-21-19-11-17(22-14(2)23-19)18-5-4-10-24(18)12-15-6-8-16(9-7-15)27-13-20(25)26/h6-9,11,18H,3-5,10,12-13H2,1-2H3,(H,25,26)(H,21,22,23)/t18-/m1/s1
InChIKeyFBHSSIHQHYTWJQ-GOSISDBHSA-N
MW370.45 g/mol
LogP3.02
Rot. Bonds8

About 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid

2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 124954262) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID124954262
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCNc1cc([C@H]2CCCN2Cc2ccc(OCC(=O)O)cc2)nc(C)n1
InChIInChI=1S/C20H26N4O3/c1-3-21-19-11-17(22-14(2)23-19)18-5-4-10-24(18)12-15-6-8-16(9-7-15)27-13-20(25)26/h6-9,11,18H,3-5,10,12-13H2,1-2H3,(H,25,26)(H,21,22,23)/t18-/m1/s1
InChIKeyFBHSSIHQHYTWJQ-GOSISDBHSA-N
XLogP3.02
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic 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

2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 110104492
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
6-[(2S)-1-benzylazetidin-2-yl]-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 95847281
1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
CID 95847329
6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
CID 95847401
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
2-[4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 110219909
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
CID 50809341
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
CID 95847351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid (CID 124954262) is 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid is CCNc1cc([C@H]2CCCN2Cc2ccc(OCC(=O)O)cc2)nc(C)n1.
What is the InChIKey of 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is FBHSSIHQHYTWJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-21-19-11-17(22-14(2)23-19)18-5-4-10-24(18)12-15-6-8-16(9-7-15)27-13-20(25)26/h6-9,11,18H,3-5,10,12-13H2,1-2H3,(H,25,26)(H,21,22,23)/t18-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 370.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 124954262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).