4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine

C25H20N4 — CID 45268325

IUPAC4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(N)ncc2-c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
InChIKeyCVIMBUQNJRLCFV-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.55
Rot. Bonds3

About 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine

4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 45268325) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID45268325
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine
SMILESCn1cc(-c2nc(N)ncc2-c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
InChIKeyCVIMBUQNJRLCFV-UHFFFAOYSA-N
XLogP5.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine (CID 45268325) is 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine is Cn1cc(-c2nc(N)ncc2-c2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is CVIMBUQNJRLCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28).
What are the key properties of 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine?
4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-5-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45268325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).