4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine

C12H13N3O3 — CID 79917584

IUPAC4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
SMILESCOc1cccc(OC)c1Oc1ncncc1N
InChIInChI=1S/C12H13N3O3/c1-16-9-4-3-5-10(17-2)11(9)18-12-8(13)6-14-7-15-12/h3-7H,13H2,1-2H3
InChIKeyWFSMQEPVLSZZJC-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.87
Rot. Bonds4

About 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine

4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine (PubChem CID 79917584) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
PubChem CID79917584
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
SMILESCOc1cccc(OC)c1Oc1ncncc1N
InChIInChI=1S/C12H13N3O3/c1-16-9-4-3-5-10(17-2)11(9)18-12-8(13)6-14-7-15-12/h3-7H,13H2,1-2H3
InChIKeyWFSMQEPVLSZZJC-UHFFFAOYSA-N
XLogP1.87
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 16783505
4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
CID 107655411
4-(2-fluorophenoxy)pyrimidin-5-amine
CID 79917585
5-bromo-2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 61227895
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
CID 174611926
N-[2-(5-aminopyrimidin-4-yl)oxyphenyl]acetamide
CID 79917590
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
5-amino-6-(2,6-dimethoxyphenoxy)pyridine-2-carboxamide
CID 114408396

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine (CID 79917584) is 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine is COc1cccc(OC)c1Oc1ncncc1N.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine?
The InChIKey is WFSMQEPVLSZZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-16-9-4-3-5-10(17-2)11(9)18-12-8(13)6-14-7-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine?
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine has a molecular weight of 247.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 79917584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).