4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine

C17H22N4O2 — CID 19140241

IUPAC4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCCCC2C)c1N
InChIInChI=1S/C17H22N4O2/c1-12-7-5-6-10-21(12)16-15(18)17(20-11-19-16)23-14-9-4-3-8-13(14)22-2/h3-4,8-9,11-12H,5-7,10,18H2,1-2H3
InChIKeyMEAARAQRSBYGSJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.24
Rot. Bonds4

About 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine

4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19140241) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19140241
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCCCC2C)c1N
InChIInChI=1S/C17H22N4O2/c1-12-7-5-6-10-21(12)16-15(18)17(20-11-19-16)23-14-9-4-3-8-13(14)22-2/h3-4,8-9,11-12H,5-7,10,18H2,1-2H3
InChIKeyMEAARAQRSBYGSJ-UHFFFAOYSA-N
XLogP3.24
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
4-(2-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140190
4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19140155
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153728
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140137
4-(2-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137626
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine (CID 19140241) is 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(N2CCCCC2C)c1N.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is MEAARAQRSBYGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-7-5-6-10-21(12)16-15(18)17(20-11-19-16)23-14-9-4-3-8-13(14)22-2/h3-4,8-9,11-12H,5-7,10,18H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 314.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19140241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).