2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine

C14H16N4O2 — CID 72919988

IUPAC2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1OC1CN(c2nccc(N)n2)C1
InChIInChI=1S/C14H16N4O2/c1-19-11-4-2-3-5-12(11)20-10-8-18(9-10)14-16-7-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H2,15,16,17)
InChIKeyILPDKLXJUQHAJH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.34
Rot. Bonds4

About 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine

2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine (PubChem CID 72919988) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine
PubChem CID72919988
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1OC1CN(c2nccc(N)n2)C1
InChIInChI=1S/C14H16N4O2/c1-19-11-4-2-3-5-12(11)20-10-8-18(9-10)14-16-7-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H2,15,16,17)
InChIKeyILPDKLXJUQHAJH-UHFFFAOYSA-N
XLogP1.34
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine (CID 72919988) is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine is COc1ccccc1OC1CN(c2nccc(N)n2)C1.
What is the InChIKey of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine?
The InChIKey is ILPDKLXJUQHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-19-11-4-2-3-5-12(11)20-10-8-18(9-10)14-16-7-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine?
2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72919988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).