5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

C28H29N3 — CID 139208758

IUPAC5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H29N3/c1-4-22-19-30-28(26-13-9-8-12-25(26)20(2)3)31-27(22)29-18-21-14-16-24(17-15-21)23-10-6-5-7-11-23/h5-17,19-20H,4,18H2,1-3H3,(H,29,30,31)
InChIKeyHHMGGJHFUODDEW-UHFFFAOYSA-N
MW407.56 g/mol
LogP7.11
Rot. Bonds7

About 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 139208758) has the molecular formula C28H29N3 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID139208758
Molecular FormulaC28H29N3
Molecular Weight407.56 g/mol
Exact Mass407.24
IUPAC Name5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCCc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H29N3/c1-4-22-19-30-28(26-13-9-8-12-25(26)20(2)3)31-27(22)29-18-21-14-16-24(17-15-21)23-10-6-5-7-11-23/h5-17,19-20H,4,18H2,1-3H3,(H,29,30,31)
InChIKeyHHMGGJHFUODDEW-UHFFFAOYSA-N
XLogP7.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 139208758) is 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is CCc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is HHMGGJHFUODDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3/c1-4-22-19-30-28(26-13-9-8-12-25(26)20(2)3)31-27(22)29-18-21-14-16-24(17-15-21)23-10-6-5-7-11-23/h5-17,19-20H,4,18H2,1-3H3,(H,29,30,31).
What are the key properties of 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 139208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).