5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine

C12H15N3O — CID 162716272

IUPAC5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cn(C2CCOCC2)c2ncncc12
InChIInChI=1S/C12H15N3O/c1-9-7-15(10-2-4-16-5-3-10)12-11(9)6-13-8-14-12/h6-8,10H,2-5H2,1H3
InChIKeyGZDFYXISHHPJNF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds1

About 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine

5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine (PubChem CID 162716272) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine
PubChem CID162716272
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cn(C2CCOCC2)c2ncncc12
InChIInChI=1S/C12H15N3O/c1-9-7-15(10-2-4-16-5-3-10)12-11(9)6-13-8-14-12/h6-8,10H,2-5H2,1H3
InChIKeyGZDFYXISHHPJNF-UHFFFAOYSA-N
XLogP2.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidine;ethane
CID 142391354
9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
1-cyclohexyl-3-methyl-5-nitropyrrolo[2,3-b]pyridine
CID 169173154
4-[4-[5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]morpholine
CID 141088869
2-formyl-N-methyl-N-[[5-(5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl]benzamide
CID 144719784
4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
CID 141174270
5-(2-methyl-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidine
CID 150305808
ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine
CID 144600618
7-[4-[4-(deuteriomethyl)piperazin-1-yl]cyclohexyl]-5-phenylpyrrolo[2,3-d]pyrimidine;ethane
CID 167650910
3-iodo-4-methyl-1-(oxan-4-yl)pyrazole
CID 79787692
4-[4-chloro-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]aniline
CID 135198356
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine (CID 162716272) is 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine is Cc1cn(C2CCOCC2)c2ncncc12.
What is the InChIKey of 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is GZDFYXISHHPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-15(10-2-4-16-5-3-10)12-11(9)6-13-8-14-12/h6-8,10H,2-5H2,1H3.
What are the key properties of 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine?
5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 217.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 162716272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).