5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine

C14H16BrN3O2 — CID 80862412

IUPAC5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
SMILESCCCOc1ccccc1Oc1nc(NC)ncc1Br
InChIInChI=1S/C14H16BrN3O2/c1-3-8-19-11-6-4-5-7-12(11)20-13-10(15)9-17-14(16-2)18-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyHJOHHMARMMDNFS-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.86
Rot. Bonds6

About 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine

5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine (PubChem CID 80862412) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
PubChem CID80862412
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
SMILESCCCOc1ccccc1Oc1nc(NC)ncc1Br
InChIInChI=1S/C14H16BrN3O2/c1-3-8-19-11-6-4-5-7-12(11)20-13-10(15)9-17-14(16-2)18-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyHJOHHMARMMDNFS-UHFFFAOYSA-N
XLogP3.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80864968
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80863011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine (CID 80862412) is 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine is CCCOc1ccccc1Oc1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine?
The InChIKey is HJOHHMARMMDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-8-19-11-6-4-5-7-12(11)20-13-10(15)9-17-14(16-2)18-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine?
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine has a molecular weight of 338.21 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80862412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).