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

C15H18BrN3 — CID 66299061

IUPAC5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(CC)c1Br
InChIInChI=1S/C15H18BrN3/c1-4-12-13(16)15(17-5-2)19-14(18-12)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBSXXSKGZCZNNDY-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.21
Rot. Bonds4

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

5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 66299061) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
PubChem CID66299061
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2C)nc(CC)c1Br
InChIInChI=1S/C15H18BrN3/c1-4-12-13(16)15(17-5-2)19-14(18-12)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBSXXSKGZCZNNDY-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
5-bromo-N-ethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66306280
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66297457
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine (CID 66299061) is 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccccc2C)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is BSXXSKGZCZNNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-12-13(16)15(17-5-2)19-14(18-12)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.21, 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-diethyl-2-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66299061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).