4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine

C22H26N4 — CID 119045940

IUPAC4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(CNC(Cc2ccccc2)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C22H26N4/c1-17-14-20(25-22(24-17)26(2)3)16-23-21(19-12-8-5-9-13-19)15-18-10-6-4-7-11-18/h4-14,21,23H,15-16H2,1-3H3
InChIKeySEKMGBRWZCVKBR-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.92
Rot. Bonds7

About 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine

4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 119045940) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID119045940
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(CNC(Cc2ccccc2)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C22H26N4/c1-17-14-20(25-22(24-17)26(2)3)16-23-21(19-12-8-5-9-13-19)15-18-10-6-4-7-11-18/h4-14,21,23H,15-16H2,1-3H3
InChIKeySEKMGBRWZCVKBR-UHFFFAOYSA-N
XLogP3.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine (CID 119045940) is 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine is Cc1cc(CNC(Cc2ccccc2)c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is SEKMGBRWZCVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-17-14-20(25-22(24-17)26(2)3)16-23-21(19-12-8-5-9-13-19)15-18-10-6-4-7-11-18/h4-14,21,23H,15-16H2,1-3H3.
What are the key properties of 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 346.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 119045940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).