5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine

C15H14BrCl2N3 — CID 66295910

IUPAC5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2c(Cl)cccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C15H14BrCl2N3/c1-2-19-15-12(16)13(8-6-7-8)20-14(21-15)11-9(17)4-3-5-10(11)18/h3-5,8H,2,6-7H2,1H3,(H,19,20,21)
InChIKeyYTDUUPXWAIRCGS-UHFFFAOYSA-N
MW387.11 g/mol
LogP5.52
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 66295910) has the molecular formula C15H14BrCl2N3 and a molecular weight of 387.11 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID66295910
Molecular FormulaC15H14BrCl2N3
Molecular Weight387.11 g/mol
Exact Mass384.97
IUPAC Name5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2c(Cl)cccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C15H14BrCl2N3/c1-2-19-15-12(16)13(8-6-7-8)20-14(21-15)11-9(17)4-3-5-10(11)18/h3-5,8H,2,6-7H2,1H3,(H,19,20,21)
InChIKeyYTDUUPXWAIRCGS-UHFFFAOYSA-N
XLogP5.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.11
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine (CID 66295910) is 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2c(Cl)cccc2Cl)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is YTDUUPXWAIRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N3/c1-2-19-15-12(16)13(8-6-7-8)20-14(21-15)11-9(17)4-3-5-10(11)18/h3-5,8H,2,6-7H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 387.11 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66295910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).