6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine

C15H19N3O — CID 80864705

IUPAC6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyPMXCANFZDZZOIL-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.42
Rot. Bonds4

About 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine

6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80864705) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
PubChem CID80864705
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18)
InChIKeyPMXCANFZDZZOIL-UHFFFAOYSA-N
XLogP3.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
5-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874684
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine (CID 80864705) is 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1cccc(C)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is PMXCANFZDZZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h5,7-9H,4,6H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine?
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80864705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).