amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide

C17H12BrN5 — CID 44550066

IUPACamino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide
SMILESN#CN(N)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H12BrN5/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17(22-16)23(20)11-19/h1-10H,20H2
InChIKeyAXPGXGCRCSJQFW-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.73
Rot. Bonds3

About amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide

amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide (PubChem CID 44550066) has the molecular formula C17H12BrN5 and a molecular weight of 366.22 g/mol. Its IUPAC name is amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Nameamino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide
PubChem CID44550066
Molecular FormulaC17H12BrN5
Molecular Weight366.22 g/mol
Exact Mass365.03
IUPAC Nameamino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide
SMILESN#CN(N)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H12BrN5/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17(22-16)23(20)11-19/h1-10H,20H2
InChIKeyAXPGXGCRCSJQFW-UHFFFAOYSA-N
XLogP3.73
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
1-methyl-1-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 780059
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
CID 2843777
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235

Frequently Asked Questions

What is the IUPAC name of amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide?
The IUPAC name of amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide (CID 44550066) is amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide.
What is the SMILES notation for amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide?
The canonical SMILES for amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide is N#CN(N)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1.
What is the InChIKey of amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide?
The InChIKey is AXPGXGCRCSJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17(22-16)23(20)11-19/h1-10H,20H2.
What are the key properties of amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide?
amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide has a molecular weight of 366.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide is sourced from PubChem (CID 44550066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).