4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80793896

IUPAC4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4/c1-4-13-14(17-2)18-10-19-15(13)20(3)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBEFGDCXHNPSGCT-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.48
Rot. Bonds5

About 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80793896) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80793896
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4/c1-4-13-14(17-2)18-10-19-15(13)20(3)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyBEFGDCXHNPSGCT-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine 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

4-N-[(5-bromothiophen-3-yl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80804664
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
5-ethyl-4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80838548
4-N-[1-(4-bromophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80801411
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
5-ethyl-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906617
4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80776961

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80793896) is 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is BEFGDCXHNPSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-13-14(17-2)18-10-19-15(13)20(3)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).