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

C16H21N3O — CID 80875948

IUPAC4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccccc2CC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-16-18-12(3)11-15(19-16)20-14-9-7-6-8-13(14)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyLFCFZRRPNCIOTP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.96
Rot. Bonds6

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

4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80875948) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80875948
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccccc2CC)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-16-18-12(3)11-15(19-16)20-14-9-7-6-8-13(14)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyLFCFZRRPNCIOTP-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (CID 80875948) is 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2ccccc2CC)n1.
What is the InChIKey of 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is LFCFZRRPNCIOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-17-16-18-12(3)11-15(19-16)20-14-9-7-6-8-13(14)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80875948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).