1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one

C14H21N3O — CID 126848340

IUPAC1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
SMILESCC(C)(C)Cc1cc(N2CCC(=O)CC2)ncn1
InChIInChI=1S/C14H21N3O/c1-14(2,3)9-11-8-13(16-10-15-11)17-6-4-12(18)5-7-17/h8,10H,4-7,9H2,1-3H3
InChIKeyWEZIARZUYUZLQT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds2

About 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one

1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one (PubChem CID 126848340) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
PubChem CID126848340
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
SMILESCC(C)(C)Cc1cc(N2CCC(=O)CC2)ncn1
InChIInChI=1S/C14H21N3O/c1-14(2,3)9-11-8-13(16-10-15-11)17-6-4-12(18)5-7-17/h8,10H,4-7,9H2,1-3H3
InChIKeyWEZIARZUYUZLQT-UHFFFAOYSA-N
XLogP2.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 174159201
1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
CID 126848690
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
tert-butyl N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylcarbamate
CID 126849629
4-(2,2-dimethylpropyl)-6-methoxypyrimidine
CID 167358390
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
4-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine;hydrochloride
CID 21245788
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241
1-[6-ethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-one
CID 56767373
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-one
CID 76845132

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one (CID 126848340) is 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one is CC(C)(C)Cc1cc(N2CCC(=O)CC2)ncn1.
What is the InChIKey of 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one?
The InChIKey is WEZIARZUYUZLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)9-11-8-13(16-10-15-11)17-6-4-12(18)5-7-17/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one?
1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one is sourced from PubChem (CID 126848340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).