N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

C25H20N4 — CID 3523813

IUPACN-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c1-4-10-19(11-5-1)16-26-24-23-22(20-12-6-2-7-13-20)17-29(25(23)28-18-27-24)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,26,27,28)
InChIKeyOMSBLLGGNDDUEV-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.70
Rot. Bonds5

About N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3523813) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3523813
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC NameN-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c1-4-10-19(11-5-1)16-26-24-23-22(20-12-6-2-7-13-20)17-29(25(23)28-18-27-24)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,26,27,28)
InChIKeyOMSBLLGGNDDUEV-UHFFFAOYSA-N
XLogP5.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4115346
N-benzyl-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136490
N-[(3-chlorophenyl)methyl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4558589
N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4125132
N-[(3-chlorophenyl)methyl]-7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136492
7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3375228
7-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4136488
1-[[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 4048400
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3391969
N-(2-methylpropyl)-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 4172529
7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 50749535

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3523813) is N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OMSBLLGGNDDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-4-10-19(11-5-1)16-26-24-23-22(20-12-6-2-7-13-20)17-29(25(23)28-18-27-24)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,26,27,28).
What are the key properties of N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3523813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).