4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine

C28H29N5O2 — CID 42632990

IUPAC4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
SMILESC1=C(c2c[nH]c3c(N4CCOCC4)nc(-c4cccc(OCc5ccccc5)c4)nc23)CCNC1
InChIInChI=1S/C28H29N5O2/c1-2-5-20(6-3-1)19-35-23-8-4-7-22(17-23)27-31-25-24(21-9-11-29-12-10-21)18-30-26(25)28(32-27)33-13-15-34-16-14-33/h1-9,17-18,29-30H,10-16,19H2
InChIKeyRAMKDCCYPATRLM-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.42
Rot. Bonds6

About 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 42632990) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID42632990
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
SMILESC1=C(c2c[nH]c3c(N4CCOCC4)nc(-c4cccc(OCc5ccccc5)c4)nc23)CCNC1
InChIInChI=1S/C28H29N5O2/c1-2-5-20(6-3-1)19-35-23-8-4-7-22(17-23)27-31-25-24(21-9-11-29-12-10-21)18-30-26(25)28(32-27)33-13-15-34-16-14-33/h1-9,17-18,29-30H,10-16,19H2
InChIKeyRAMKDCCYPATRLM-UHFFFAOYSA-N
XLogP4.42
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine (CID 42632990) is 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine is C1=C(c2c[nH]c3c(N4CCOCC4)nc(-c4cccc(OCc5ccccc5)c4)nc23)CCNC1.
What is the InChIKey of 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is RAMKDCCYPATRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-2-5-20(6-3-1)19-35-23-8-4-7-22(17-23)27-31-25-24(21-9-11-29-12-10-21)18-30-26(25)28(32-27)33-13-15-34-16-14-33/h1-9,17-18,29-30H,10-16,19H2.
What are the key properties of 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 467.57 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylmethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 42632990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).