5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine

C13H13Br2N3 — CID 66302872

IUPAC5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Br)ncc1Br
InChIInChI=1S/C13H13Br2N3/c1-2-16-13-11(15)8-17-12(18-13)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyLEHCXLMRNIPXQC-UHFFFAOYSA-N
MW371.08 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine

5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine (PubChem CID 66302872) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
PubChem CID66302872
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2ccccc2Br)ncc1Br
InChIInChI=1S/C13H13Br2N3/c1-2-16-13-11(15)8-17-12(18-13)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyLEHCXLMRNIPXQC-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62830547
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66302260
3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268749
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66304089
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
5-bromo-4-N-[(2-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 80844137
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
CID 114244985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine (CID 66302872) is 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine is CCNc1nc(Cc2ccccc2Br)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine?
The InChIKey is LEHCXLMRNIPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-2-16-13-11(15)8-17-12(18-13)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine?
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine has a molecular weight of 371.08 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66302872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).