6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine

C15H18BrN3O2 — CID 104708809

IUPAC6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-5-13-18-14(17-2)9-15(19-13)21-12-7-6-10(20-3)8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyAQWMIWRLCNKGKN-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.03
Rot. Bonds6

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

6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 104708809) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID104708809
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C15H18BrN3O2/c1-4-5-13-18-14(17-2)9-15(19-13)21-12-7-6-10(20-3)8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyAQWMIWRLCNKGKN-UHFFFAOYSA-N
XLogP4.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
CID 80950367
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine (CID 104708809) is 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Oc2ccc(OC)cc2Br)n1.
What is the InChIKey of 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is AQWMIWRLCNKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-4-5-13-18-14(17-2)9-15(19-13)21-12-7-6-10(20-3)8-11(12)16/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 104708809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).