5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine

C14H16BrN3 — CID 66305262

IUPAC5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCNc1nc(CCc2ccccc2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGMZHPQSEKYTTME-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.37
Rot. Bonds4

About 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 66305262) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID66305262
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCNc1nc(CCc2ccccc2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGMZHPQSEKYTTME-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66305665
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647
[5-ethyl-6-methyl-2-(2-phenylethyl)pyrimidin-4-yl]hydrazine
CID 62250503
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
CID 66294519
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66300793
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
CID 55132630

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine (CID 66305262) is 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine is CNc1nc(CCc2ccccc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is GMZHPQSEKYTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-13(15)14(16-2)18-12(17-10)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).