5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine

C16H20BrN3 — CID 66297721

IUPAC5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2CC)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3/c1-4-11-9-7-8-10-12(11)15-19-13(5-2)14(17)16(20-15)18-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyIYLTWLAJHBBMEL-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.46
Rot. Bonds5

About 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine

5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine (PubChem CID 66297721) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
PubChem CID66297721
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2CC)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3/c1-4-11-9-7-8-10-12(11)15-19-13(5-2)14(17)16(20-15)18-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyIYLTWLAJHBBMEL-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
[6-ethyl-2-(2-ethylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 55221887
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine (CID 66297721) is 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccccc2CC)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine?
The InChIKey is IYLTWLAJHBBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-11-9-7-8-10-12(11)15-19-13(5-2)14(17)16(20-15)18-6-3/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66297721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).