4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C22H23N5O2 — CID 162379282

IUPAC4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H23N5O2/c1-2-6-18(7-3-1)27-10-8-19-20(27)24-22(26-11-13-28-14-12-26)25-21(19)29-16-17-5-4-9-23-15-17/h1-7,9,15H,8,10-14,16H2
InChIKeyWZVWOMFCMAGUMP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.98
Rot. Bonds5

About 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 162379282) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID162379282
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H23N5O2/c1-2-6-18(7-3-1)27-10-8-19-20(27)24-22(26-11-13-28-14-12-26)25-21(19)29-16-17-5-4-9-23-15-17/h1-7,9,15H,8,10-14,16H2
InChIKeyWZVWOMFCMAGUMP-UHFFFAOYSA-N
XLogP2.98
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 162379282) is 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is c1ccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is WZVWOMFCMAGUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-6-18(7-3-1)27-10-8-19-20(27)24-22(26-11-13-28-14-12-26)25-21(19)29-16-17-5-4-9-23-15-17/h1-7,9,15H,8,10-14,16H2.
What are the key properties of 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-phenyl-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 162379282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).