4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

C13H15BrN4 — CID 80808089

IUPAC4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2cccc(Br)c2)ncn1
InChIInChI=1S/C13H15BrN4/c1-9(10-4-3-5-11(14)6-10)18-13-7-12(15-2)16-8-17-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyUYTNIGHVMPKJLS-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.45
Rot. Bonds4

About 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80808089) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80808089
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2cccc(Br)c2)ncn1
InChIInChI=1S/C13H15BrN4/c1-9(10-4-3-5-11(14)6-10)18-13-7-12(15-2)16-8-17-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyUYTNIGHVMPKJLS-UHFFFAOYSA-N
XLogP3.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80801495
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 80808089) is 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC(C)c2cccc(Br)c2)ncn1.
What is the InChIKey of 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is UYTNIGHVMPKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9(10-4-3-5-11(14)6-10)18-13-7-12(15-2)16-8-17-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.45, 4 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]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80808089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).