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

C17H23N5O2 — CID 19138506

IUPAC4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(Oc3ccccc3OC)c2N)CC1
InChIInChI=1S/C17H23N5O2/c1-3-21-8-10-22(11-9-21)16-15(18)17(20-12-19-16)24-14-7-5-4-6-13(14)23-2/h4-7,12H,3,8-11,18H2,1-2H3
InChIKeyOBJBJJCSIKWQRV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds5

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

4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 19138506) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID19138506
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(Oc3ccccc3OC)c2N)CC1
InChIInChI=1S/C17H23N5O2/c1-3-21-8-10-22(11-9-21)16-15(18)17(20-12-19-16)24-14-7-5-4-6-13(14)23-2/h4-7,12H,3,8-11,18H2,1-2H3
InChIKeyOBJBJJCSIKWQRV-UHFFFAOYSA-N
XLogP2.00
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
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-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153651
4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138340
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505
4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140241
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138513

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 19138506) is 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is CCN1CCN(c2ncnc(Oc3ccccc3OC)c2N)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is OBJBJJCSIKWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-21-8-10-22(11-9-21)16-15(18)17(20-12-19-16)24-14-7-5-4-6-13(14)23-2/h4-7,12H,3,8-11,18H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 329.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19138506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).