3-(4-amino-6-methoxypyrimidin-2-yl)phenol

C11H11N3O2 — CID 83864368

IUPAC3-(4-amino-6-methoxypyrimidin-2-yl)phenol
SMILESCOc1cc(N)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c1-16-10-6-9(12)13-11(14-10)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H2,12,13,14)
InChIKeyNNJSEDCLAHUJJB-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.44
Rot. Bonds2

About 3-(4-amino-6-methoxypyrimidin-2-yl)phenol

3-(4-amino-6-methoxypyrimidin-2-yl)phenol (PubChem CID 83864368) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(4-amino-6-methoxypyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-6-methoxypyrimidin-2-yl)phenol
PubChem CID83864368
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(4-amino-6-methoxypyrimidin-2-yl)phenol
SMILESCOc1cc(N)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C11H11N3O2/c1-16-10-6-9(12)13-11(14-10)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H2,12,13,14)
InChIKeyNNJSEDCLAHUJJB-UHFFFAOYSA-N
XLogP1.44
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-methoxypyrimidin-4-amine
CID 83864400
3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
CID 69287814
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
6-methoxy-4-phenylpyridin-2-amine
CID 118992617
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
CID 66296362
6-phenoxy-2-phenylpyrimidin-4-amine
CID 115915894
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methoxypyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-amino-6-methoxypyrimidin-2-yl)phenol (CID 83864368) is 3-(4-amino-6-methoxypyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-amino-6-methoxypyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-amino-6-methoxypyrimidin-2-yl)phenol is COc1cc(N)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-(4-amino-6-methoxypyrimidin-2-yl)phenol?
The InChIKey is NNJSEDCLAHUJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-6-9(12)13-11(14-10)7-3-2-4-8(15)5-7/h2-6,15H,1H3,(H2,12,13,14).
What are the key properties of 3-(4-amino-6-methoxypyrimidin-2-yl)phenol?
3-(4-amino-6-methoxypyrimidin-2-yl)phenol has a molecular weight of 217.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methoxypyrimidin-2-yl)phenol is sourced from PubChem (CID 83864368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).