4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

C17H18N4O2 — CID 72706458

IUPAC4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H18N4O2/c1-22-14-5-3-2-4-12(14)13-10-18-16-15(13)17(20-11-19-16)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyOICKVPGRZUWXPB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.47
Rot. Bonds3

About 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 72706458) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID72706458
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H18N4O2/c1-22-14-5-3-2-4-12(14)13-10-18-16-15(13)17(20-11-19-16)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyOICKVPGRZUWXPB-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 72706458) is 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is OICKVPGRZUWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-14-5-3-2-4-12(14)13-10-18-16-15(13)17(20-11-19-16)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 310.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 72706458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).