6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine

C16H21BrN4 — CID 112875945

IUPAC6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(C)c(Br)c2)cc(NC(C)(C)C)n1
InChIInChI=1S/C16H21BrN4/c1-10-6-7-12(8-13(10)17)20-14-9-15(19-11(2)18-14)21-16(3,4)5/h6-9H,1-5H3,(H2,18,19,20,21)
InChIKeyBFZYOZVBCCINGH-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.81
Rot. Bonds3

About 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine

6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112875945) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
PubChem CID112875945
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(C)c(Br)c2)cc(NC(C)(C)C)n1
InChIInChI=1S/C16H21BrN4/c1-10-6-7-12(8-13(10)17)20-14-9-15(19-11(2)18-14)21-16(3,4)5/h6-9H,1-5H3,(H2,18,19,20,21)
InChIKeyBFZYOZVBCCINGH-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-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-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985
N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80951056
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875926
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine (CID 112875945) is 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(C)c(Br)c2)cc(NC(C)(C)C)n1.
What is the InChIKey of 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is BFZYOZVBCCINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-10-6-7-12(8-13(10)17)20-14-9-15(19-11(2)18-14)21-16(3,4)5/h6-9H,1-5H3,(H2,18,19,20,21).
What are the key properties of 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine?
6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).