2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid

C18H21N3O5 — CID 137052957

IUPAC2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
SMILESCc1nc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)cc(=O)[nH]1
InChIInChI=1S/C18H21N3O5/c1-12-19-14(8-17(22)20-12)16-10-21(6-7-25-16)9-13-4-2-3-5-15(13)26-11-18(23)24/h2-5,8,16H,6-7,9-11H2,1H3,(H,23,24)(H,19,20,22)/t16-/m0/s1
InChIKeyOAEAVRJHAWMPIU-INIZCTEOSA-N
MW359.38 g/mol
LogP1.12
Rot. Bonds6

About 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid

2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid (PubChem CID 137052957) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
PubChem CID137052957
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
SMILESCc1nc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)cc(=O)[nH]1
InChIInChI=1S/C18H21N3O5/c1-12-19-14(8-17(22)20-12)16-10-21(6-7-25-16)9-13-4-2-3-5-15(13)26-11-18(23)24/h2-5,8,16H,6-7,9-11H2,1H3,(H,23,24)(H,19,20,22)/t16-/m0/s1
InChIKeyOAEAVRJHAWMPIU-INIZCTEOSA-N
XLogP1.12
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908
2-methyl-4-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844397
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
4-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 137145712
4-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 136844422
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844457
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid (CID 137052957) is 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid is Cc1nc([C@@H]2CN(Cc3ccccc3OCC(=O)O)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid?
The InChIKey is OAEAVRJHAWMPIU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-12-19-14(8-17(22)20-12)16-10-21(6-7-25-16)9-13-4-2-3-5-15(13)26-11-18(23)24/h2-5,8,16H,6-7,9-11H2,1H3,(H,23,24)(H,19,20,22)/t16-/m0/s1.
What are the key properties of 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid?
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 137052957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).