5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C7H6FN3O — CID 176668324

IUPAC5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2[nH]cc(F)c12
InChIInChI=1S/C7H6FN3O/c1-12-7-5-4(8)2-9-6(5)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyQREJRXHZDVMWGZ-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.11
Rot. Bonds1

About 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine

5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 176668324) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID176668324
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2[nH]cc(F)c12
InChIInChI=1S/C7H6FN3O/c1-12-7-5-4(8)2-9-6(5)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyQREJRXHZDVMWGZ-UHFFFAOYSA-N
XLogP1.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-2-methylsulfanyl-7H-pyrrolo(2,3-d)pyrimidine
CID 5381876
(Z)-3-[4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile
CID 73052068
3-(4-isobutoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propiolamide
CID 73052070
(E)-3-(4-isobutoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylonitrile
CID 118236668
4-isobutoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118236986
2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708943
2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708944
2-Amino-4-methoxy-5-cyanopyrrolo(2,3-d)pyrimidine
CID 10511844
4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 12830522
5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 71299223
7-(Ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10730472
4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 91810228

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 176668324) is 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is COc1ncnc2[nH]cc(F)c12.
What is the InChIKey of 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QREJRXHZDVMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-12-7-5-4(8)2-9-6(5)10-3-11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 167.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 176668324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).