4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine

C13H15BrN4 — CID 80761295

IUPAC4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H3,15,16,17,18)
InChIKeyXIHZGQOEPYSVJW-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.52
Rot. Bonds4

About 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80761295) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80761295
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H3,15,16,17,18)
InChIKeyXIHZGQOEPYSVJW-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80759282
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
CID 80760482
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine (CID 80761295) is 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccccc1Br.
What is the InChIKey of 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is XIHZGQOEPYSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-5-9-12(15)16-8-17-13(9)18-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 307.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).