N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4O2 — CID 4053205

IUPACN-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1
InChIInChI=1S/C22H22N4O2/c1-27-13-12-23-21-20-19(16-6-4-3-5-7-16)14-26(22(20)25-15-24-21)17-8-10-18(28-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyQLFSWOGESZNNMF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.15
Rot. Bonds7

About N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4053205) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4053205
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1
InChIInChI=1S/C22H22N4O2/c1-27-13-12-23-21-20-19(16-6-4-3-5-7-16)14-26(22(20)25-15-24-21)17-8-10-18(28-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyQLFSWOGESZNNMF-UHFFFAOYSA-N
XLogP4.15
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4053205) is N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QLFSWOGESZNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-13-12-23-21-20-19(16-6-4-3-5-7-16)14-26(22(20)25-15-24-21)17-8-10-18(28-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4053205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).