4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid

C20H19N3O3 — CID 131909517

IUPAC4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCO1
InChIInChI=1S/C20H19N3O3/c24-20(25)18-13-23(8-9-26-18)12-14-10-21-19(22-11-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,10-11,18H,8-9,12-13H2,(H,24,25)
InChIKeyBGFPLCGNZKHFGV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.58
Rot. Bonds4

About 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid

4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 131909517) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
PubChem CID131909517
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCO1
InChIInChI=1S/C20H19N3O3/c24-20(25)18-13-23(8-9-26-18)12-14-10-21-19(22-11-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,10-11,18H,8-9,12-13H2,(H,24,25)
InChIKeyBGFPLCGNZKHFGV-UHFFFAOYSA-N
XLogP2.58
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
CID 77092954
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912

Frequently Asked Questions

What is the IUPAC name of 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid (CID 131909517) is 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid is O=C(O)C1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CCO1.
What is the InChIKey of 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is BGFPLCGNZKHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(25)18-13-23(8-9-26-18)12-14-10-21-19(22-11-14)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,10-11,18H,8-9,12-13H2,(H,24,25).
What are the key properties of 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 131909517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).