6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine

C16H21N3O — CID 80989252

IUPAC6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccccc2CC)n1
InChIInChI=1S/C16H21N3O/c1-4-8-14-18-15(17)11(3)16(19-14)20-13-10-7-6-9-12(13)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19)
InChIKeyIPXJKYZWNGJVIG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.67
Rot. Bonds5

About 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine

6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80989252) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80989252
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccccc2CC)n1
InChIInChI=1S/C16H21N3O/c1-4-8-14-18-15(17)11(3)16(19-14)20-13-10-7-6-9-12(13)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19)
InChIKeyIPXJKYZWNGJVIG-UHFFFAOYSA-N
XLogP3.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80989252) is 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Oc2ccccc2CC)n1.
What is the InChIKey of 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is IPXJKYZWNGJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-14-18-15(17)11(3)16(19-14)20-13-10-7-6-9-12(13)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80989252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).