5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4O2 — CID 11646472

IUPAC5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2COCCOCc1ccccc1
InChIInChI=1S/C22H22N4O2/c23-21-20-19(18-9-5-2-6-10-18)13-26(22(20)25-15-24-21)16-28-12-11-27-14-17-7-3-1-4-8-17/h1-10,13,15H,11-12,14,16H2,(H2,23,24,25)
InChIKeyBGOLLELVUHAUOZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.87
Rot. Bonds8

About 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11646472) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11646472
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2COCCOCc1ccccc1
InChIInChI=1S/C22H22N4O2/c23-21-20-19(18-9-5-2-6-10-18)13-26(22(20)25-15-24-21)16-28-12-11-27-14-17-7-3-1-4-8-17/h1-10,13,15H,11-12,14,16H2,(H2,23,24,25)
InChIKeyBGOLLELVUHAUOZ-UHFFFAOYSA-N
XLogP3.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 510418
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54420151
5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 54198845
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide
CID 100982242
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 70206153
5-[4-(3-phenylmethoxyphenoxy)phenyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118119843
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 57230556
9-[1,3-bis(phenylmethoxy)propoxymethyl]purin-6-amine
CID 68910617
(3R)-5-[4-amino-5-(4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-imino-3-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 174320108
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 11646472) is 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2COCCOCc1ccccc1.
What is the InChIKey of 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BGOLLELVUHAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-21-20-19(18-9-5-2-6-10-18)13-26(22(20)25-15-24-21)16-28-12-11-27-14-17-7-3-1-4-8-17/h1-10,13,15H,11-12,14,16H2,(H2,23,24,25).
What are the key properties of 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11646472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).