1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone

C18H22N4O2 — CID 83275947

IUPAC1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(C)nc(N3CCCCC3)c2N)cc1
InChIInChI=1S/C18H22N4O2/c1-12(23)14-6-8-15(9-7-14)24-18-16(19)17(20-13(2)21-18)22-10-4-3-5-11-22/h6-9H,3-5,10-11,19H2,1-2H3
InChIKeyFKRPGDAXMKYVOW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone

1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone (PubChem CID 83275947) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone
PubChem CID83275947
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(C)nc(N3CCCCC3)c2N)cc1
InChIInChI=1S/C18H22N4O2/c1-12(23)14-6-8-15(9-7-14)24-18-16(19)17(20-13(2)21-18)22-10-4-3-5-11-22/h6-9H,3-5,10-11,19H2,1-2H3
InChIKeyFKRPGDAXMKYVOW-UHFFFAOYSA-N
XLogP3.35
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-Methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
CID 697265
1-{6-[4-(2-Methoxycarbonyl-acetyl)-phenoxy]-5-nitro-pyrimidin-4-yl}-piperidine-4-carboxylic acid ethyl ester
CID 3710394
1-(4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)phenyl)ethanone
CID 721063
1-[4-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 155523039
1-[4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 155532308
1-[4-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 155541779
1-[4-(6-Amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
1-[4-[6-Amino-5-(4-ethoxybenzoyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 127044597
Ethyl 1-[5-nitro-6-(4-propanoylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 10002675
(4-Fluorophenyl)-[4-[5-nitro-6-(4-propylpiperidin-1-yl)pyrimidin-4-yl]oxyphenyl]methanone
CID 58216340
(4-Butoxyphenyl)(4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl)methanone
CID 42154459
(4-(6-Ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl)(4-methoxyphenyl)methanone
CID 42473279

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone (CID 83275947) is 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone is CC(=O)c1ccc(Oc2nc(C)nc(N3CCCCC3)c2N)cc1.
What is the InChIKey of 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone?
The InChIKey is FKRPGDAXMKYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(23)14-6-8-15(9-7-14)24-18-16(19)17(20-13(2)21-18)22-10-4-3-5-11-22/h6-9H,3-5,10-11,19H2,1-2H3.
What are the key properties of 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone?
1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 83275947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).