5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C16H20BrN3 — CID 66301290

IUPAC5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(NC)c(Br)c(C(C)C)n2)cc1
InChIInChI=1S/C16H20BrN3/c1-5-11-6-8-12(9-7-11)15-19-14(10(2)3)13(17)16(18-4)20-15/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyDZCFBLRVTWBCDD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66301290) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66301290
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(NC)c(Br)c(C(C)C)n2)cc1
InChIInChI=1S/C16H20BrN3/c1-5-11-6-8-12(9-7-11)15-19-14(10(2)3)13(17)16(18-4)20-15/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyDZCFBLRVTWBCDD-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66301290) is 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CCc1ccc(-c2nc(NC)c(Br)c(C(C)C)n2)cc1.
What is the InChIKey of 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DZCFBLRVTWBCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-5-11-6-8-12(9-7-11)15-19-14(10(2)3)13(17)16(18-4)20-15/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).