2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid

C11H15N3O3S — CID 66442944

IUPAC2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCOc1ccnc(N2CCSCC2CC(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-17-9-2-3-12-11(13-9)14-4-5-18-7-8(14)6-10(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyHCYWLLLIVMVFTL-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid

2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66442944) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66442944
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
SMILESCOc1ccnc(N2CCSCC2CC(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-17-9-2-3-12-11(13-9)14-4-5-18-7-8(14)6-10(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyHCYWLLLIVMVFTL-UHFFFAOYSA-N
XLogP0.88
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxypyrimidin-2-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518663
2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 83063382
2-[4-(6-ethoxypyrimidin-4-yl)thiomorpholin-3-yl]acetic acid
CID 66445483
2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)thiomorpholin-3-yl]acetic acid
CID 103385120
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66421382
2-[4-(3-methylquinoxalin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66445102
2-[4-[6-(trifluoromethyl)-2-pyridinyl]thiomorpholin-3-yl]acetic acid
CID 66445493
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid (CID 66442944) is 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid is COc1ccnc(N2CCSCC2CC(=O)O)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is HCYWLLLIVMVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-9-2-3-12-11(13-9)14-4-5-18-7-8(14)6-10(15)16/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 269.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66442944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).