4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

C16H21BrN4 — CID 107580873

IUPAC4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C
InChIInChI=1S/C16H21BrN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-7-11(4)6-12(17)8-13/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyTVGFEIMTESKDKK-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.85
Rot. Bonds5

About 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107580873) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107580873
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C
InChIInChI=1S/C16H21BrN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-7-11(4)6-12(17)8-13/h6-10H,5H2,1-4H3,(H2,18,19,20,21)
InChIKeyTVGFEIMTESKDKK-UHFFFAOYSA-N
XLogP4.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-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-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580847
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80755254
4-N-(3-bromo-5-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580991
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
4-N-(3-bromophenyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80737681
4-N-(3-bromo-5-methylphenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107580901
6-N-ethyl-4-N-(3-methylsulfanylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767948
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837173
N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107581086
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 107580873) is 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cc(C)cc(Br)c2)c1C(C)C.
What is the InChIKey of 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is TVGFEIMTESKDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-13-7-11(4)6-12(17)8-13/h6-10H,5H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107580873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).