3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol

C12H13N3O2 — CID 115038185

IUPAC3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
SMILESNCCc1ncc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H13N3O2/c13-5-4-12-14-7-11(8-15-12)17-10-3-1-2-9(16)6-10/h1-3,6-8,16H,4-5,13H2
InChIKeyFDAKPZOWQHTIJT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.48
Rot. Bonds4

About 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol

3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol (PubChem CID 115038185) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
PubChem CID115038185
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
SMILESNCCc1ncc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C12H13N3O2/c13-5-4-12-14-7-11(8-15-12)17-10-3-1-2-9(16)6-10/h1-3,6-8,16H,4-5,13H2
InChIKeyFDAKPZOWQHTIJT-UHFFFAOYSA-N
XLogP1.48
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine
CID 115055192
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224521
N'-[5-(3-chlorophenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224550
3-[(5-aminopyrazin-2-yl)methoxy]phenol
CID 117213249
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
3-phenylperoxyphenol
CID 87446766
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
3-[(4-aminopyrimidin-2-yl)methoxy]phenol
CID 105470749

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol?
The IUPAC name of 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol (CID 115038185) is 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol.
What is the SMILES notation for 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol?
The canonical SMILES for 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol is NCCc1ncc(Oc2cccc(O)c2)cn1.
What is the InChIKey of 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol?
The InChIKey is FDAKPZOWQHTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-5-4-12-14-7-11(8-15-12)17-10-3-1-2-9(16)6-10/h1-3,6-8,16H,4-5,13H2.
What are the key properties of 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol?
3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol has a molecular weight of 231.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol is sourced from PubChem (CID 115038185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).