4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine

C16H21N3O2 — CID 80874328

IUPAC4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(C)cc2OC)n1
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16-18-12(3)10-15(19-16)21-13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyOMGJSCMRCOKONB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.72
Rot. Bonds6

About 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine

4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80874328) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80874328
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(C)cc2OC)n1
InChIInChI=1S/C16H21N3O2/c1-5-8-17-16-18-12(3)10-15(19-16)21-13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19)
InChIKeyOMGJSCMRCOKONB-UHFFFAOYSA-N
XLogP3.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine (CID 80874328) is 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2ccc(C)cc2OC)n1.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is OMGJSCMRCOKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-8-17-16-18-12(3)10-15(19-16)21-13-7-6-11(2)9-14(13)20-4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine?
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80874328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).