5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine

C14H15BrClN3 — CID 66300037

IUPAC5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(CC)c1Br
InChIInChI=1S/C14H15BrClN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGYRGFOKPRCFQHH-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.55
Rot. Bonds4

About 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine

5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 66300037) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
PubChem CID66300037
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(Cl)c2)nc(CC)c1Br
InChIInChI=1S/C14H15BrClN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGYRGFOKPRCFQHH-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.55
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-chlorophenyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine (CID 66300037) is 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine is CCNc1nc(-c2cccc(Cl)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is GYRGFOKPRCFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine?
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.55, 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-chlorophenyl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 66300037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).