1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

C20H27N5O3 — CID 122351057

IUPAC1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H27N5O3/c1-4-21-20-22-15(2)13-18(23-20)24-9-11-25(12-10-24)19(26)14-28-17-7-5-16(27-3)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyMASCNMPJGOPWRD-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.95
Rot. Bonds7

About 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 122351057) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID122351057
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H27N5O3/c1-4-21-20-22-15(2)13-18(23-20)24-9-11-25(12-10-24)19(26)14-28-17-7-5-16(27-3)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyMASCNMPJGOPWRD-UHFFFAOYSA-N
XLogP1.95
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 122351062
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122346111
2-(4-methoxyphenoxy)-1-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 122333760
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122351151
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 56699978
2-(4-methoxyphenoxy)-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122348677
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122351123
3-[2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122351143

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 122351057) is 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is CCNc1nc(C)cc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is MASCNMPJGOPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-21-20-22-15(2)13-18(23-20)24-9-11-25(12-10-24)19(26)14-28-17-7-5-16(27-3)6-8-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 385.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 122351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).