7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C21H21N5O — CID 70206153

IUPAC7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25)
InChIKeyOLVPIIAFRKOZKD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.40
Rot. Bonds6

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

7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 70206153) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID70206153
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25)
InChIKeyOLVPIIAFRKOZKD-UHFFFAOYSA-N
XLogP3.40
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
7-(2-methoxyphenyl)-4-methylsulfanyl-5-phenylpyrrolo[2,3-d]pyrimidine
CID 5073108
3-[[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propan-1-ol
CID 70205374
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 54208528
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
2-[7-(2-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone
CID 4217909
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
4-[[3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methylamino]butan-1-ol
CID 54497445
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50749561
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 70206153) is 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is NCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OLVPIIAFRKOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25).
What are the key properties of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70206153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).