N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C27H24N4 — CID 4750281

IUPACN-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)c1
InChIInChI=1S/C27H24N4/c1-20-10-9-15-23(16-20)31-18-24(22-13-7-4-8-14-22)25-26(28-19-29-27(25)31)30(2)17-21-11-5-3-6-12-21/h3-16,18-19H,17H2,1-2H3
InChIKeyXUEQTZVCQWONIX-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.03
Rot. Bonds5

About N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4750281) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4750281
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC NameN-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)c1
InChIInChI=1S/C27H24N4/c1-20-10-9-15-23(16-20)31-18-24(22-13-7-4-8-14-22)25-26(28-19-29-27(25)31)30(2)17-21-11-5-3-6-12-21/h3-16,18-19H,17H2,1-2H3
InChIKeyXUEQTZVCQWONIX-UHFFFAOYSA-N
XLogP6.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4113046
N-[(3-chlorophenyl)methyl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4558589
2-[4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 3467524
7-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 4188829
N-(2,3-dihydrothiophen-5-ylmethyl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 163681806
N-benzyl-7-(4-ethoxyphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4750401
N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4200447
N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3563626
4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3511177
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4617707
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4750281) is N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)c1.
What is the InChIKey of N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XUEQTZVCQWONIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-20-10-9-15-23(16-20)31-18-24(22-13-7-4-8-14-22)25-26(28-19-29-27(25)31)30(2)17-21-11-5-3-6-12-21/h3-16,18-19H,17H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4750281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).