4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine

C16H15N3 — CID 144834752

IUPAC4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
SMILESNc1nc(C2=CCCC=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2,(H2,17,18,19)
InChIKeyHMONBIWYGJQNHG-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.46
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine

4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine (PubChem CID 144834752) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
PubChem CID144834752
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
SMILESNc1nc(C2=CCCC=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2,(H2,17,18,19)
InChIKeyHMONBIWYGJQNHG-UHFFFAOYSA-N
XLogP3.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-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

2-(3-bromo-5-chlorophenyl)-4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidine
CID 144734477
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
9-[4-carbazol-9-yl-2-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
CID 155071269
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine
CID 146384972
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
4-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-(3,5-diphenylphenyl)-2-pyridin-3-ylpyrimidine
CID 145280952
4-[6-[6-(9-cyclohexa-1,5-dien-1-yl-2,7-diphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
CID 91164569
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891
9-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 177276905
8-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 142621932

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine (CID 144834752) is 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine is Nc1nc(C2=CCCC=C2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine?
The InChIKey is HMONBIWYGJQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2,(H2,17,18,19).
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine?
4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 144834752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).