2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine

C30H30N2 — CID 144785231

IUPAC2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)C(C)(C)C1(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H30N2/c1-28(2)29(3,4)30(28,5)24-18-16-23(17-19-24)27-31-25(21-12-8-6-9-13-21)20-26(32-27)22-14-10-7-11-15-22/h6-20H,1-5H3
InChIKeyABPPYBQMBRURKR-UHFFFAOYSA-N
MW418.58 g/mol
LogP7.80
Rot. Bonds4

About 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine

2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 144785231) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine
PubChem CID144785231
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)C(C)(C)C1(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H30N2/c1-28(2)29(3,4)30(28,5)24-18-16-23(17-19-24)27-31-25(21-12-8-6-9-13-21)20-26(32-27)22-14-10-7-11-15-22/h6-20H,1-5H3
InChIKeyABPPYBQMBRURKR-UHFFFAOYSA-N
XLogP7.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
4-[9,9-difluoro-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134271868
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine (CID 144785231) is 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine is CC1(C)C(C)(C)C1(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is ABPPYBQMBRURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-28(2)29(3,4)30(28,5)24-18-16-23(17-19-24)27-31-25(21-12-8-6-9-13-21)20-26(32-27)22-14-10-7-11-15-22/h6-20H,1-5H3.
What are the key properties of 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 418.58 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,2,3,3-pentamethylcyclopropyl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 144785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).