6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine

C16H21N3O — CID 80949696

IUPAC6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(17-4)10-16(19-14)20-13-9-11(2)7-8-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyFOAMMHPVMZIFDB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.88
Rot. Bonds5

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

6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80949696) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80949696
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cc(C)ccc2C)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(17-4)10-16(19-14)20-13-9-11(2)7-8-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyFOAMMHPVMZIFDB-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945080
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80941455
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine (CID 80949696) is 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Oc2cc(C)ccc2C)n1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is FOAMMHPVMZIFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-14-18-15(17-4)10-16(19-14)20-13-9-11(2)7-8-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).