4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine

C12H13N3O2 — CID 80869209

IUPAC4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2ccccc2OC)n1
InChIInChI=1S/C12H13N3O2/c1-13-12-14-8-7-11(15-12)17-10-6-4-3-5-9(10)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyAYUMBROTGAYOBX-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.32
Rot. Bonds4

About 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine

4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80869209) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
PubChem CID80869209
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2ccccc2OC)n1
InChIInChI=1S/C12H13N3O2/c1-13-12-14-8-7-11(15-12)17-10-6-4-3-5-9(10)16-2/h3-8H,1-2H3,(H,13,14,15)
InChIKeyAYUMBROTGAYOBX-UHFFFAOYSA-N
XLogP2.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80864811
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine
CID 80863471
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine (CID 80869209) is 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine is CNc1nccc(Oc2ccccc2OC)n1.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is AYUMBROTGAYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-13-12-14-8-7-11(15-12)17-10-6-4-3-5-9(10)16-2/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine?
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 231.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80869209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).