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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Related Compounds

4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;cyclopropylmethanol;ethane
CID 143087805
5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carbaldehyde
CID 145365126
4-[4-chloro-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]aniline
CID 135198356
butane;4-chloro-7-cyclohexyl-5-methylpyrrolo[2,3-d]pyrimidine;ethane;2-hydroxy-N-(2-oxopropyl)acetamide
CID 143087818
5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine
CID 162716272
(2R,5R,6S)-2-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 89335816
tert-butyl-[[5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy]-dimethyl-λ4-sulfane;propane-2,2-diol
CID 145263622
7-[(3aR,6R,6aS)-4-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-4-chloro-5-methylpyrrolo[2,3-d]pyrimidine
CID 167678915
4-chloro-5-fluoro-7-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 58057695
3-(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-1-methylcyclobutan-1-ol
CID 118119797
6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
CID 114585153
6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582070

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).