4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine

C15H19N3O2S — CID 74228170

IUPAC4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
SMILESCc1ccsc1CN1CCOC(COc2ncccn2)C1
InChIInChI=1S/C15H19N3O2S/c1-12-3-8-21-14(12)10-18-6-7-19-13(9-18)11-20-15-16-4-2-5-17-15/h2-5,8,13H,6-7,9-11H2,1H3
InChIKeyLIAWURNNVYZMMS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.13
Rot. Bonds5

About 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine

4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine (PubChem CID 74228170) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
PubChem CID74228170
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
SMILESCc1ccsc1CN1CCOC(COc2ncccn2)C1
InChIInChI=1S/C15H19N3O2S/c1-12-3-8-21-14(12)10-18-6-7-19-13(9-18)11-20-15-16-4-2-5-17-15/h2-5,8,13H,6-7,9-11H2,1H3
InChIKeyLIAWURNNVYZMMS-UHFFFAOYSA-N
XLogP2.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine?
The IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine (CID 74228170) is 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine.
What is the SMILES notation for 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine?
The canonical SMILES for 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine is Cc1ccsc1CN1CCOC(COc2ncccn2)C1.
What is the InChIKey of 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine?
The InChIKey is LIAWURNNVYZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-3-8-21-14(12)10-18-6-7-19-13(9-18)11-20-15-16-4-2-5-17-15/h2-5,8,13H,6-7,9-11H2,1H3.
What are the key properties of 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine?
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine has a molecular weight of 305.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine is sourced from PubChem (CID 74228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).