4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine

C12H13BrN4 — CID 80760702

IUPAC4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyHOGAWAVNNRAGCE-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.13
Rot. Bonds3

About 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine

4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80760702) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80760702
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyHOGAWAVNNRAGCE-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(5-bromo-2-iodophenyl)-5-ethylpyrimidine-4,6-diamine
CID 114261736
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine (CID 80760702) is 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is HOGAWAVNNRAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 293.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).