5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine

C14H16BrN3 — CID 66300793

IUPAC5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCc1nc(CCc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-2-11-13(15)14(16)18-12(17-11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyJSOQVCPAIHDJND-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 66300793) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID66300793
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCc1nc(CCc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-2-11-13(15)14(16)18-12(17-11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyJSOQVCPAIHDJND-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-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

6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62191554
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
5-(chloromethyl)-4-ethyl-2-(2-phenylethyl)pyrimidine
CID 114205393
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-amine
CID 66300013
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262
5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66300996
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
CID 66299040
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
6-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 161474326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine (CID 66300793) is 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine is CCc1nc(CCc2ccccc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is JSOQVCPAIHDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-11-13(15)14(16)18-12(17-11)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66300793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).