6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine

C16H21N3O2 — CID 80942785

IUPAC6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1cc(N)nc(CCC)n1
InChIInChI=1S/C16H21N3O2/c1-3-7-15-18-14(17)11-16(19-15)21-13-9-6-5-8-12(13)20-10-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19)
InChIKeyXPRISLLHGXOVIU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.59
Rot. Bonds7

About 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine

6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine (PubChem CID 80942785) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
PubChem CID80942785
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1cc(N)nc(CCC)n1
InChIInChI=1S/C16H21N3O2/c1-3-7-15-18-14(17)11-16(19-15)21-13-9-6-5-8-12(13)20-10-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19)
InChIKeyXPRISLLHGXOVIU-UHFFFAOYSA-N
XLogP3.59
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
5-methyl-2-(2-propoxyphenoxy)pyridin-4-amine
CID 83266265
6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine
CID 80950511
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine (CID 80942785) is 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine is CCCOc1ccccc1Oc1cc(N)nc(CCC)n1.
What is the InChIKey of 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine?
The InChIKey is XPRISLLHGXOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-7-15-18-14(17)11-16(19-15)21-13-9-6-5-8-12(13)20-10-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine?
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80942785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).