2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine

C25H23N3 — CID 13177449

IUPAC2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H23N3/c1-18(2)26-25-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)27-24(28-25)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,26,27,28)
InChIKeyQSZKCJGJBJSLJP-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.30
Rot. Bonds5

About 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine

2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 13177449) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID13177449
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H23N3/c1-18(2)26-25-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)27-24(28-25)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,26,27,28)
InChIKeyQSZKCJGJBJSLJP-UHFFFAOYSA-N
XLogP6.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine (CID 13177449) is 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is QSZKCJGJBJSLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-18(2)26-25-22(19-12-6-3-7-13-19)23(20-14-8-4-9-15-20)27-24(28-25)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,26,27,28).
What are the key properties of 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine?
2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-triphenyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 13177449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).