2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

C11H12ClN3O — CID 166090821

IUPAC2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2ccn(CC3CCCO3)c2n1
InChIInChI=1S/C11H12ClN3O/c12-11-13-6-8-3-4-15(10(8)14-11)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyXXHLWPNPHCLMDL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.26
Rot. Bonds2

About 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 166090821) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID166090821
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2ccn(CC3CCCO3)c2n1
InChIInChI=1S/C11H12ClN3O/c12-11-13-6-8-3-4-15(10(8)14-11)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2
InChIKeyXXHLWPNPHCLMDL-UHFFFAOYSA-N
XLogP2.26
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
2-[2-(4-methylpiperazin-1-yl)-5-[[7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethanol
CID 166090791
6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
CID 168751993
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
CID 107917557
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164579
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
2-chloro-7-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolo[2,3-d]pyrimidine
CID 147432522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (CID 166090821) is 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is Clc1ncc2ccn(CC3CCCO3)c2n1.
What is the InChIKey of 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is XXHLWPNPHCLMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-13-6-8-3-4-15(10(8)14-11)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 237.69 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 166090821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).