3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole

C15H18N4O3 — CID 121401350

IUPAC3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
SMILESCOCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C15H18N4O3/c1-10-8-12(18-22-10)9-21-15-14-13(16-11(2)17-15)4-5-19(14)6-7-20-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDSENCWHYONZRDA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.26
Rot. Bonds6

About 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole

3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 121401350) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
PubChem CID121401350
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
SMILESCOCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21
InChIInChI=1S/C15H18N4O3/c1-10-8-12(18-22-10)9-21-15-14-13(16-11(2)17-15)4-5-19(14)6-7-20-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyDSENCWHYONZRDA-UHFFFAOYSA-N
XLogP2.26
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole (CID 121401350) is 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole is COCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21.
What is the InChIKey of 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is DSENCWHYONZRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-8-12(18-22-10)9-21-15-14-13(16-11(2)17-15)4-5-19(14)6-7-20-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole?
3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 302.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 121401350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).