4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine

C16H21N3O2 — CID 80880224

IUPAC4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-4-8-17-16-18-12(2)9-15(19-16)21-14-7-5-6-13(10-14)11-20-3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19)
InChIKeyNGZPCHMZFUZWIG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.55
Rot. Bonds7

About 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine

4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80880224) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80880224
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2cccc(COC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-4-8-17-16-18-12(2)9-15(19-16)21-14-7-5-6-13(10-14)11-20-3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19)
InChIKeyNGZPCHMZFUZWIG-UHFFFAOYSA-N
XLogP3.55
TPSA56.27 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine (CID 80880224) is 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2cccc(COC)c2)n1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is NGZPCHMZFUZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-8-17-16-18-12(2)9-15(19-16)21-14-7-5-6-13(10-14)11-20-3/h5-7,9-10H,4,8,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine?
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).