4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine

C26H38N6O2 — CID 54760671

IUPAC4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCOCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1
InChIInChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3
InChIKeyFWBZJINAHRLNEH-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.00
Rot. Bonds9

About 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine

4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (PubChem CID 54760671) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
PubChem CID54760671
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCOCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1
InChIInChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3
InChIKeyFWBZJINAHRLNEH-UHFFFAOYSA-N
XLogP2.00
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (CID 54760671) is 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is COCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1.
What is the InChIKey of 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The InChIKey is FWBZJINAHRLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3.
What are the key properties of 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine has a molecular weight of 466.63 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is sourced from PubChem (CID 54760671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).