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

C17H22N4O2 — CID 19140409

IUPAC4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C17H22N4O2/c1-12-7-9-21(10-8-12)16-15(18)17(20-11-19-16)23-14-6-4-3-5-13(14)22-2/h3-6,11-12H,7-10,18H2,1-2H3
InChIKeyXXTVOWCANJYOMU-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.10
Rot. Bonds4

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

4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19140409) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19140409
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C17H22N4O2/c1-12-7-9-21(10-8-12)16-15(18)17(20-11-19-16)23-14-6-4-3-5-13(14)22-2/h3-6,11-12H,7-10,18H2,1-2H3
InChIKeyXXTVOWCANJYOMU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
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-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140241
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22541547
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153651
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (CID 19140409) is 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(N2CCC(C)CC2)c1N.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is XXTVOWCANJYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-7-9-21(10-8-12)16-15(18)17(20-11-19-16)23-14-6-4-3-5-13(14)22-2/h3-6,11-12H,7-10,18H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 314.39 g/mol, XLogP of 3.10, 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-(4-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19140409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).