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

C21H19ClN4O — CID 2151141

IUPAC7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O/c1-27-11-10-23-20-19-18(15-6-3-2-4-7-15)13-26(21(19)25-14-24-20)17-9-5-8-16(22)12-17/h2-9,12-14H,10-11H2,1H3,(H,23,24,25)
InChIKeyICLDCYUKENCFMH-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.80
Rot. Bonds6

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

7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 2151141) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID2151141
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN4O/c1-27-11-10-23-20-19-18(15-6-3-2-4-7-15)13-26(21(19)25-14-24-20)17-9-5-8-16(22)12-17/h2-9,12-14H,10-11H2,1H3,(H,23,24,25)
InChIKeyICLDCYUKENCFMH-UHFFFAOYSA-N
XLogP4.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 2151141) is 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ICLDCYUKENCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-27-11-10-23-20-19-18(15-6-3-2-4-7-15)13-26(21(19)25-14-24-20)17-9-5-8-16(22)12-17/h2-9,12-14H,10-11H2,1H3,(H,23,24,25).
What are the key properties of 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 378.86 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).