4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

C14H17BrN4 — CID 80807914

IUPAC4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-5-4-6-12(15)7-11/h4-7,9H,1-3H3,(H3,16,17,18,19)
InChIKeyRCINEZILCHXBLP-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.61
Rot. Bonds3

About 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80807914) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80807914
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2cccc(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-5-4-6-12(15)7-11/h4-7,9H,1-3H3,(H3,16,17,18,19)
InChIKeyRCINEZILCHXBLP-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766348
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
5-N-[1-(3-bromophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027953
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 80807914) is 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC(C)c2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is RCINEZILCHXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-5-4-6-12(15)7-11/h4-7,9H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80807914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).