5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine

C14H15Br2N3 — CID 66299451

IUPAC5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Br)c2)nc(CC)c1Br
InChIInChI=1S/C14H15Br2N3/c1-3-11-12(16)14(17-4-2)19-13(18-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySHYLUHWQIISIJZ-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine

5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 66299451) has the molecular formula C14H15Br2N3 and a molecular weight of 385.10 g/mol. Its IUPAC name is 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
PubChem CID66299451
Molecular FormulaC14H15Br2N3
Molecular Weight385.10 g/mol
Exact Mass382.96
IUPAC Name5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Br)c2)nc(CC)c1Br
InChIInChI=1S/C14H15Br2N3/c1-3-11-12(16)14(17-4-2)19-13(18-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySHYLUHWQIISIJZ-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine (CID 66299451) is 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine is CCNc1nc(-c2cccc(Br)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is SHYLUHWQIISIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3/c1-3-11-12(16)14(17-4-2)19-13(18-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine?
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 385.10 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 66299451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).