6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine

C15H19N3O2 — CID 80869942

IUPAC6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(OC)cc2)c1C
InChIInChI=1S/C15H19N3O2/c1-4-9-16-14-11(2)15(18-10-17-14)20-13-7-5-12(19-3)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyBQRSBEGVXCYGHW-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.41
Rot. Bonds6

About 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine

6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80869942) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80869942
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(OC)cc2)c1C
InChIInChI=1S/C15H19N3O2/c1-4-9-16-14-11(2)15(18-10-17-14)20-13-7-5-12(19-3)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyBQRSBEGVXCYGHW-UHFFFAOYSA-N
XLogP3.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-methyl-6-(4-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80879024
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19134955
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine (CID 80869942) is 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(OC)cc2)c1C.
What is the InChIKey of 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is BQRSBEGVXCYGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-9-16-14-11(2)15(18-10-17-14)20-13-7-5-12(19-3)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80869942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).