1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C15H22N4O2 — CID 126430096

IUPAC1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc([C@H]3CCOC3)nc(C)n2)CC1
InChIInChI=1S/C15H22N4O2/c1-11-16-14(13-3-8-21-10-13)9-15(17-11)19-6-4-18(5-7-19)12(2)20/h9,13H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyFTIYTABUXJVCBQ-ZDUSSCGKSA-N
MW290.37 g/mol
LogP0.96
Rot. Bonds2

About 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 126430096) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID126430096
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc([C@H]3CCOC3)nc(C)n2)CC1
InChIInChI=1S/C15H22N4O2/c1-11-16-14(13-3-8-21-10-13)9-15(17-11)19-6-4-18(5-7-19)12(2)20/h9,13H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKeyFTIYTABUXJVCBQ-ZDUSSCGKSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215
1-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126446357
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
4-[2-(dimethylamino)ethyl]-1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 119071248
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122341099
2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 126439671
(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95866877
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 126430096) is 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc([C@H]3CCOC3)nc(C)n2)CC1.
What is the InChIKey of 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is FTIYTABUXJVCBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-16-14(13-3-8-21-10-13)9-15(17-11)19-6-4-18(5-7-19)12(2)20/h9,13H,3-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126430096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).