5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine

C16H18BrN3 — CID 79980369

IUPAC5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C3CC3)c2)nc(C)c1Br
InChIInChI=1S/C16H18BrN3/c1-3-18-16-14(17)10(2)19-15(20-16)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20)
InChIKeyAKUDOYDBVSKTNN-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine

5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 79980369) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID79980369
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C3CC3)c2)nc(C)c1Br
InChIInChI=1S/C16H18BrN3/c1-3-18-16-14(17)10(2)19-15(20-16)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20)
InChIKeyAKUDOYDBVSKTNN-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (CID 79980369) is 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2cccc(C3CC3)c2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is AKUDOYDBVSKTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-3-18-16-14(17)10(2)19-15(20-16)13-6-4-5-12(9-13)11-7-8-11/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 332.25 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79980369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).