2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine

C14H19FN4O — CID 159864235

IUPAC2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCN1CCC(c2ncc3c(n2)CN=C3)C(F)C1
InChIInChI=1S/C14H19FN4O/c1-20-5-4-19-3-2-11(12(15)9-19)14-17-7-10-6-16-8-13(10)18-14/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyZDHBOYASUDQXKT-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.18
Rot. Bonds4

About 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine

2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine (PubChem CID 159864235) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine
PubChem CID159864235
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine
SMILESCOCCN1CCC(c2ncc3c(n2)CN=C3)C(F)C1
InChIInChI=1S/C14H19FN4O/c1-20-5-4-19-3-2-11(12(15)9-19)14-17-7-10-6-16-8-13(10)18-14/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyZDHBOYASUDQXKT-UHFFFAOYSA-N
XLogP1.18
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine (CID 159864235) is 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine is COCCN1CCC(c2ncc3c(n2)CN=C3)C(F)C1.
What is the InChIKey of 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ZDHBOYASUDQXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-20-5-4-19-3-2-11(12(15)9-19)14-17-7-10-6-16-8-13(10)18-14/h6-7,11-12H,2-5,8-9H2,1H3.
What are the key properties of 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine?
2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 278.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-7H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 159864235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).