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

C24H34N6O — CID 54760475

IUPAC4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
SMILESCc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCOCC1
InChIInChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3
InChIKeyUWHNAAGVKKICST-UHFFFAOYSA-N
MW422.58 g/mol
LogP1.90
Rot. Bonds5

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

4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine (PubChem CID 54760475) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
PubChem CID54760475
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine
SMILESCc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCOCC1
InChIInChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3
InChIKeyUWHNAAGVKKICST-UHFFFAOYSA-N
XLogP1.90
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine (CID 54760475) is 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine is Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCOCC1.
What is the InChIKey of 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine?
The InChIKey is UWHNAAGVKKICST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3.
What are the key properties of 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine?
4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine has a molecular weight of 422.58 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethyl]morpholine is sourced from PubChem (CID 54760475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).