4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine

C19H19BrN4O — CID 112880351

IUPAC4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4O/c1-25-11-10-21-17-13-18(22-16-9-5-8-15(20)12-16)24-19(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyDSIWLUZNHTXDJV-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.71
Rot. Bonds7

About 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880351) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880351
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4O/c1-25-11-10-21-17-13-18(22-16-9-5-8-15(20)12-16)24-19(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyDSIWLUZNHTXDJV-UHFFFAOYSA-N
XLogP4.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344
N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112880342
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
methyl 3-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]benzoate
CID 112879265
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
5-N-(3-bromophenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943630

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine (CID 112880351) is 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine is COCCNc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is DSIWLUZNHTXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-25-11-10-21-17-13-18(22-16-9-5-8-15(20)12-16)24-19(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 399.29 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).