[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine

C14H17N3O3 — CID 83189366

IUPAC[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCOc1cccc(OC)c1Oc1ncc(CN)c(C)n1
InChIInChI=1S/C14H17N3O3/c1-9-10(7-15)8-16-14(17-9)20-13-11(18-2)5-4-6-12(13)19-3/h4-6,8H,7,15H2,1-3H3
InChIKeyIXLXJCJVBWQNBY-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.05
Rot. Bonds5

About [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189366) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189366
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCOc1cccc(OC)c1Oc1ncc(CN)c(C)n1
InChIInChI=1S/C14H17N3O3/c1-9-10(7-15)8-16-14(17-9)20-13-11(18-2)5-4-6-12(13)19-3/h4-6,8H,7,15H2,1-3H3
InChIKeyIXLXJCJVBWQNBY-UHFFFAOYSA-N
XLogP2.05
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
CID 83188697
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
(4-methyl-2-quinolin-5-yloxypyrimidin-5-yl)methanol
CID 103045423
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83189366) is [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine is COc1cccc(OC)c1Oc1ncc(CN)c(C)n1.
What is the InChIKey of [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is IXLXJCJVBWQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(7-15)8-16-14(17-9)20-13-11(18-2)5-4-6-12(13)19-3/h4-6,8H,7,15H2,1-3H3.
What are the key properties of [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 275.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).