4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine

C13H16ClN3O2 — CID 137490930

IUPAC4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCOCC1OC(n2ccc3c(Cl)ncnc32)CC1C
InChIInChI=1S/C13H16ClN3O2/c1-8-5-11(19-10(8)6-18-2)17-4-3-9-12(14)15-7-16-13(9)17/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyRBVPNKLLJCLAFT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine

4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 137490930) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID137490930
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
SMILESCOCC1OC(n2ccc3c(Cl)ncnc32)CC1C
InChIInChI=1S/C13H16ClN3O2/c1-8-5-11(19-10(8)6-18-2)17-4-3-9-12(14)15-7-16-13(9)17/h3-4,7-8,10-11H,5-6H2,1-2H3
InChIKeyRBVPNKLLJCLAFT-UHFFFAOYSA-N
XLogP2.65
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;propane-2,2-diol
CID 142528248
4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 21350741
5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N-methyloxolane-2-carboxamide;propane-2,2-diol
CID 145183395
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 155185633
[(2R,3R,5R)-5-(6-chloropurin-9-yl)-2-(methoxymethyl)oxolan-3-yl] acetate
CID 91374069
(2S,3S,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 93481352
[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-methylcyclopenten-1-yl]methanol
CID 138748464
7-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 23278082
2-chloro-7-[[5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methoxy]quinoline
CID 142528235
(2R,3S,4R,6S,7R)-7-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4-diol
CID 89372077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine (CID 137490930) is 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine is COCC1OC(n2ccc3c(Cl)ncnc32)CC1C.
What is the InChIKey of 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is RBVPNKLLJCLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-5-11(19-10(8)6-18-2)17-4-3-9-12(14)15-7-16-13(9)17/h3-4,7-8,10-11H,5-6H2,1-2H3.
What are the key properties of 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine?
4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 281.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 137490930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).