5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine

C14H14BrCl2N3 — CID 66295533

IUPAC5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br
InChIInChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyMENUNSZWSSMDEH-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.34
Rot. Bonds4

About 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66295533) has the molecular formula C14H14BrCl2N3 and a molecular weight of 375.10 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66295533
Molecular FormulaC14H14BrCl2N3
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br
InChIInChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyMENUNSZWSSMDEH-UHFFFAOYSA-N
XLogP5.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66295533) is 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is MENUNSZWSSMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 375.10 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).