[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine

C13H15N3O2 — CID 107542682

IUPAC[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
SMILESCOCc1cccc(Oc2nccc(CN)n2)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-15-6-5-11(8-14)16-13/h2-7H,8-9,14H2,1H3
InChIKeyQKYZAFYFLGJTFN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.87
Rot. Bonds5

About [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine

[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine (PubChem CID 107542682) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
PubChem CID107542682
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
SMILESCOCc1cccc(Oc2nccc(CN)n2)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-15-6-5-11(8-14)16-13/h2-7H,8-9,14H2,1H3
InChIKeyQKYZAFYFLGJTFN-UHFFFAOYSA-N
XLogP1.87
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 16774759
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine (CID 107542682) is [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine is COCc1cccc(Oc2nccc(CN)n2)c1.
What is the InChIKey of [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine?
The InChIKey is QKYZAFYFLGJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-15-6-5-11(8-14)16-13/h2-7H,8-9,14H2,1H3.
What are the key properties of [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine?
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).