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

C14H14Br2ClN3 — CID 66296525

IUPAC5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(Cl)ccc2Br)nc(NC)c1Br
InChIInChI=1S/C14H14Br2ClN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)9-7-8(17)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMBMLDMLYUXQGQQ-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.32
Rot. Bonds4

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

5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66296525) has the molecular formula C14H14Br2ClN3 and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66296525
Molecular FormulaC14H14Br2ClN3
Molecular Weight419.55 g/mol
Exact Mass416.92
IUPAC Name5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(Cl)ccc2Br)nc(NC)c1Br
InChIInChI=1S/C14H14Br2ClN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)9-7-8(17)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMBMLDMLYUXQGQQ-UHFFFAOYSA-N
XLogP5.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66160720
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66295504
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 66296525) is 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2cc(Cl)ccc2Br)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is MBMLDMLYUXQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2ClN3/c1-3-4-11-12(16)14(18-2)20-13(19-11)9-7-8(17)5-6-10(9)15/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 419.55 g/mol, XLogP of 5.32, 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-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66296525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).