4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

C21H25N5O2 — CID 171513398

IUPAC4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-3-17(4-2-16(1)14-25-5-9-27-10-6-25)19-13-18-20(24-19)22-15-23-21(18)26-7-11-28-12-8-26/h1-4,13,15H,5-12,14H2,(H,22,23,24)
InChIKeyOHUONWFTNNBSGE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.29
Rot. Bonds4

About 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 171513398) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID171513398
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-3-17(4-2-16(1)14-25-5-9-27-10-6-25)19-13-18-20(24-19)22-15-23-21(18)26-7-11-28-12-8-26/h1-4,13,15H,5-12,14H2,(H,22,23,24)
InChIKeyOHUONWFTNNBSGE-UHFFFAOYSA-N
XLogP2.29
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 171513398) is 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)c2cc(-c3ccc(CN4CCOCC4)cc3)[nH]c2n1.
What is the InChIKey of 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is OHUONWFTNNBSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-17(4-2-16(1)14-25-5-9-27-10-6-25)19-13-18-20(24-19)22-15-23-21(18)26-7-11-28-12-8-26/h1-4,13,15H,5-12,14H2,(H,22,23,24).
What are the key properties of 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 171513398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).