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

C26H21ClN4 — CID 4577200

IUPACN-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1
InChIInChI=1S/C26H21ClN4/c27-21-13-11-19(12-14-21)15-16-28-25-24-23(20-7-3-1-4-8-20)17-31(26(24)30-18-29-25)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2,(H,28,29,30)
InChIKeyFPZBZYWLZMXLNR-UHFFFAOYSA-N
MW424.94 g/mol
LogP6.40
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4577200) has the molecular formula C26H21ClN4 and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4577200
Molecular FormulaC26H21ClN4
Molecular Weight424.94 g/mol
Exact Mass424.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1
InChIInChI=1S/C26H21ClN4/c27-21-13-11-19(12-14-21)15-16-28-25-24-23(20-7-3-1-4-8-20)17-31(26(24)30-18-29-25)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2,(H,28,29,30)
InChIKeyFPZBZYWLZMXLNR-UHFFFAOYSA-N
XLogP6.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.94
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4577200) is N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is Clc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FPZBZYWLZMXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4/c27-21-13-11-19(12-14-21)15-16-28-25-24-23(20-7-3-1-4-8-20)17-31(26(24)30-18-29-25)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2,(H,28,29,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 424.94 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4577200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).