4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane

C13H18ClN3O — CID 142391354

IUPAC4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane
SMILESCC.Cc1cn(C2CCOC2)c2ncnc(Cl)c12
InChIInChI=1S/C11H12ClN3O.C2H6/c1-7-4-15(8-2-3-16-5-8)11-9(7)10(12)13-6-14-11;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3
InChIKeySUEKXCYHSRCCQX-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.38
Rot. Bonds1

About 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane

4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane (PubChem CID 142391354) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane
PubChem CID142391354
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane
SMILESCC.Cc1cn(C2CCOC2)c2ncnc(Cl)c12
InChIInChI=1S/C11H12ClN3O.C2H6/c1-7-4-15(8-2-3-16-5-8)11-9(7)10(12)13-6-14-11;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3
InChIKeySUEKXCYHSRCCQX-UHFFFAOYSA-N
XLogP3.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane?
The IUPAC name of 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane (CID 142391354) is 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane.
What is the SMILES notation for 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane?
The canonical SMILES for 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane is CC.Cc1cn(C2CCOC2)c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane?
The InChIKey is SUEKXCYHSRCCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O.C2H6/c1-7-4-15(8-2-3-16-5-8)11-9(7)10(12)13-6-14-11;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3.
What are the key properties of 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane?
4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane has a molecular weight of 267.76 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 142391354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).