[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine

C12H13N3O2 — CID 16774759

IUPAC[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1ccnc(Oc2cccc(CN)c2)n1
InChIInChI=1S/C12H13N3O2/c1-16-11-5-6-14-12(15-11)17-10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3
InChIKeyAZRMDVBDVHSPKT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds4

About [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine

[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine (PubChem CID 16774759) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
PubChem CID16774759
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1ccnc(Oc2cccc(CN)c2)n1
InChIInChI=1S/C12H13N3O2/c1-16-11-5-6-14-12(15-11)17-10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3
InChIKeyAZRMDVBDVHSPKT-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxypyrimidin-2-yl)oxyaniline
CID 16772312
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106486516
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
2-[3-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548615
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
[3-(7-methoxyisoquinolin-1-yl)phenyl]methanamine
CID 116995305
(3-imidazo[1,2-a]pyridin-5-yloxyphenyl)methanamine
CID 102626793
4-methoxy-2-(1-methylpyrazol-4-yl)oxypyrimidine
CID 133487387
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 102814719

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The IUPAC name of [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine (CID 16774759) is [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine is COc1ccnc(Oc2cccc(CN)c2)n1.
What is the InChIKey of [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The InChIKey is AZRMDVBDVHSPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-11-5-6-14-12(15-11)17-10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3.
What are the key properties of [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 16774759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).