2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine

C16H20BrN3 — CID 114330950

IUPAC2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H20BrN3/c1-5-6-13-9-14(18-4)20-16(19-13)12-7-10(2)15(17)11(3)8-12/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBDXBMTQYPKKJEX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine

2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 114330950) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID114330950
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H20BrN3/c1-5-6-13-9-14(18-4)20-16(19-13)12-7-10(2)15(17)11(3)8-12/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBDXBMTQYPKKJEX-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
2-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 63479650
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 114331235
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
CID 62190372
N-methyl-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 63222525
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 114330950) is 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is BDXBMTQYPKKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-5-6-13-9-14(18-4)20-16(19-13)12-7-10(2)15(17)11(3)8-12/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 114330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).