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

C17H18N4O — CID 166634167

IUPAC4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C17H18N4O/c1-12-2-4-13(5-3-12)14-10-18-16-15(14)17(20-11-19-16)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyYRZBBCABYMCSGZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds2

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

4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 166634167) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID166634167
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESCc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1
InChIInChI=1S/C17H18N4O/c1-12-2-4-13(5-3-12)14-10-18-16-15(14)17(20-11-19-16)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyYRZBBCABYMCSGZ-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 166634167) is 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is Cc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is YRZBBCABYMCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-2-4-13(5-3-12)14-10-18-16-15(14)17(20-11-19-16)21-6-8-22-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).