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

C24H34N6O — CID 54760109

IUPAC4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1
InChIInChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3
InChIKeyCYTAFHRYRZVHMU-UHFFFAOYSA-N
MW422.58 g/mol
LogP1.98
Rot. Bonds6

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

4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (PubChem CID 54760109) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
PubChem CID54760109
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1
InChIInChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3
InChIKeyCYTAFHRYRZVHMU-UHFFFAOYSA-N
XLogP1.98
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (CID 54760109) is 4-[3-[2-[4-(4-methylpiperazin-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-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1.
What is the InChIKey of 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The InChIKey is CYTAFHRYRZVHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3.
What are the key properties of 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine has a molecular weight of 422.58 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is sourced from PubChem (CID 54760109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).