(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid

C14H15N3O3S — CID 95894538

IUPAC(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CCO1
InChIInChI=1S/C14H15N3O3S/c18-14(19)11-9-17(3-4-20-11)8-10-6-15-13(16-7-10)12-2-1-5-21-12/h1-2,5-7,11H,3-4,8-9H2,(H,18,19)/t11-/m0/s1
InChIKeyXSLQIOWQBBDPRX-NSHDSACASA-N
MW305.36 g/mol
LogP1.49
Rot. Bonds4

About (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid

(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 95894538) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
PubChem CID95894538
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CCO1
InChIInChI=1S/C14H15N3O3S/c18-14(19)11-9-17(3-4-20-11)8-10-6-15-13(16-7-10)12-2-1-5-21-12/h1-2,5-7,11H,3-4,8-9H2,(H,18,19)/t11-/m0/s1
InChIKeyXSLQIOWQBBDPRX-NSHDSACASA-N
XLogP1.49
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
(3aS,7aR)-5-methyl-2-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70728579
4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperazine-1-sulfonamide
CID 77096663
5-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 99936698
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
1H-pyrrol-2-yl-[4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 77087896
[(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
(3R,4R)-4-cyclobutyl-3-methyl-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 72888147

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid (CID 95894538) is (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CCO1.
What is the InChIKey of (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is XSLQIOWQBBDPRX-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14(19)11-9-17(3-4-20-11)8-10-6-15-13(16-7-10)12-2-1-5-21-12/h1-2,5-7,11H,3-4,8-9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid?
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 95894538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).