4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C13H15BrN4 — CID 80794402

IUPAC4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-15-13-16-8-7-12(17-13)18(2)9-10-5-3-4-6-11(10)14/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyMBSATMMTWMEYFU-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.92
Rot. Bonds4

About 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80794402) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80794402
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1nccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-15-13-16-8-7-12(17-13)18(2)9-10-5-3-4-6-11(10)14/h3-8H,9H2,1-2H3,(H,15,16,17)
InChIKeyMBSATMMTWMEYFU-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62293554
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62292840
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896379
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
[6-[(2-bromophenyl)methyl-methylamino]-3-chloro-2-pyridinyl]methanol
CID 61416679
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80794402) is 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1nccc(N(C)Cc2ccccc2Br)n1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is MBSATMMTWMEYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-15-13-16-8-7-12(17-13)18(2)9-10-5-3-4-6-11(10)14/h3-8H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).