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

C26H22N4 — CID 4172694

IUPACN-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1
InChIInChI=1S/C26H22N4/c1-18-12-14-21(15-13-18)30-16-22(20-9-4-3-5-10-20)24-25(27-17-28-26(24)30)29-23-11-7-6-8-19(23)2/h3-17H,1-2H3,(H,27,28,29)
InChIKeyDSEBXIFQZQSHJD-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.45
Rot. Bonds4

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

N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4172694) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4172694
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1
InChIInChI=1S/C26H22N4/c1-18-12-14-21(15-13-18)30-16-22(20-9-4-3-5-10-20)24-25(27-17-28-26(24)30)29-23-11-7-6-8-19(23)2/h3-17H,1-2H3,(H,27,28,29)
InChIKeyDSEBXIFQZQSHJD-UHFFFAOYSA-N
XLogP6.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4172694) is N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1.
What is the InChIKey of N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DSEBXIFQZQSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-18-12-14-21(15-13-18)30-16-22(20-9-4-3-5-10-20)24-25(27-17-28-26(24)30)29-23-11-7-6-8-19(23)2/h3-17H,1-2H3,(H,27,28,29).
What are the key properties of N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4172694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).