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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Related Compounds

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 3745600
4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
CID 74227912
1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74225388
1-[3,4-dimethoxy-2-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74224424
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74230280
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(5aR,8aR)-4-methyl-7-[(3-methylthiophen-2-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 124814911
2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5009855
2-[4-[(3-bromothiophen-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66435818

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).