4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

C28H37N5O2 — CID 90362778

IUPAC4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3ccc(CN4CCOCC4)cc3)c3cnc(NCCC4CC4)nc32)CC1
InChIInChI=1S/C28H37N5O2/c34-24-9-7-23(8-10-24)33-19-26(22-5-3-21(4-6-22)18-32-13-15-35-16-14-32)25-17-30-28(31-27(25)33)29-12-11-20-1-2-20/h3-6,17,19-20,23-24,34H,1-2,7-16,18H2,(H,29,30,31)
InChIKeyIAURWWSIIMOBHU-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.62
Rot. Bonds8

About 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol (PubChem CID 90362778) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
PubChem CID90362778
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3ccc(CN4CCOCC4)cc3)c3cnc(NCCC4CC4)nc32)CC1
InChIInChI=1S/C28H37N5O2/c34-24-9-7-23(8-10-24)33-19-26(22-5-3-21(4-6-22)18-32-13-15-35-16-14-32)25-17-30-28(31-27(25)33)29-12-11-20-1-2-20/h3-6,17,19-20,23-24,34H,1-2,7-16,18H2,(H,29,30,31)
InChIKeyIAURWWSIIMOBHU-UHFFFAOYSA-N
XLogP4.62
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol (CID 90362778) is 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol is OC1CCC(n2cc(-c3ccc(CN4CCOCC4)cc3)c3cnc(NCCC4CC4)nc32)CC1.
What is the InChIKey of 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol?
The InChIKey is IAURWWSIIMOBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c34-24-9-7-23(8-10-24)33-19-26(22-5-3-21(4-6-22)18-32-13-15-35-16-14-32)25-17-30-28(31-27(25)33)29-12-11-20-1-2-20/h3-6,17,19-20,23-24,34H,1-2,7-16,18H2,(H,29,30,31).
What are the key properties of 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol?
4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol has a molecular weight of 475.64 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropylethylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 90362778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).