5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine

C15H17BrClN3 — CID 106818393

IUPAC5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-4-5-12-13(16)15(18-3)20-14(19-12)10-7-6-9(2)11(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeySRSLNAUGQSYTII-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.86
Rot. Bonds4

About 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 106818393) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID106818393
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(C)c(Cl)c2)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3/c1-4-5-12-13(16)15(18-3)20-14(19-12)10-7-6-9(2)11(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeySRSLNAUGQSYTII-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.86
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
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66296525
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 64981583
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 106818393) is 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(C)c(Cl)c2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is SRSLNAUGQSYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-4-5-12-13(16)15(18-3)20-14(19-12)10-7-6-9(2)11(17)8-10/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.86, 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-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 106818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).