4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C26H27BrN6 — CID 155352269

IUPAC4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Br)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C26H27BrN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
InChIKeyHBUQVVXVMAKZEI-UHFFFAOYSA-N
MW503.45 g/mol
LogP6.05
Rot. Bonds5

About 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 155352269) has the molecular formula C26H27BrN6 and a molecular weight of 503.45 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID155352269
Molecular FormulaC26H27BrN6
Molecular Weight503.45 g/mol
Exact Mass502.15
IUPAC Name4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Br)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C26H27BrN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
InChIKeyHBUQVVXVMAKZEI-UHFFFAOYSA-N
XLogP6.05
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine 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

SB-220025
CID 5164
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
Pyrido[4,3-d]pyrimidine deriv. 3y
CID 5328319
2,4-Disubstituted Pyrimidine 2b
CID 5329415
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
2,4-Disubstituted Pyrimidine 3a
CID 5329426
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 155352269) is 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Br)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is HBUQVVXVMAKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32).
What are the key properties of 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 503.45 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 155352269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).