7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C27H24N4 — CID 50749535

IUPAC7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1-n1cc(-c2ccccc2)c2c(NCCc3ccccc3)ncnc21
InChIInChI=1S/C27H24N4/c1-20-10-8-9-15-24(20)31-18-23(22-13-6-3-7-14-22)25-26(29-19-30-27(25)31)28-17-16-21-11-4-2-5-12-21/h2-15,18-19H,16-17H2,1H3,(H,28,29,30)
InChIKeyGDJGHKAYWZMXPF-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.05
Rot. Bonds6

About 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50749535) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50749535
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1-n1cc(-c2ccccc2)c2c(NCCc3ccccc3)ncnc21
InChIInChI=1S/C27H24N4/c1-20-10-8-9-15-24(20)31-18-23(22-13-6-3-7-14-22)25-26(29-19-30-27(25)31)28-17-16-21-11-4-2-5-12-21/h2-15,18-19H,16-17H2,1H3,(H,28,29,30)
InChIKeyGDJGHKAYWZMXPF-UHFFFAOYSA-N
XLogP6.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
N-butyl-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 5067370
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-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
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',N'-diethyl-N-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 4750323
7-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 23933163
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
2-[2-[[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 4207963
7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3375228

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 50749535) is 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccccc1-n1cc(-c2ccccc2)c2c(NCCc3ccccc3)ncnc21.
What is the InChIKey of 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GDJGHKAYWZMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-20-10-8-9-15-24(20)31-18-23(22-13-6-3-7-14-22)25-26(29-19-30-27(25)31)28-17-16-21-11-4-2-5-12-21/h2-15,18-19H,16-17H2,1H3,(H,28,29,30).
What are the key properties of 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50749535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).