4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C15H19BrN4 — CID 107638809

IUPAC4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(Br)c2C)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-8-17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)10(13)2/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyCGALDVMLDLJKFQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.42
Rot. Bonds5

About 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 107638809) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID107638809
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cccc(Br)c2C)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-8-17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)10(13)2/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyCGALDVMLDLJKFQ-UHFFFAOYSA-N
XLogP4.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
CID 107638611
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 107638809) is 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cccc(Br)c2C)nc(C)n1.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CGALDVMLDLJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-8-17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)10(13)2/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.42, 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-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107638809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).