1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one

C18H28N4O2 — CID 134160466

IUPAC1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1ncnc(OCC2CCN(CCN3CCCC3=O)CC2)c1C
InChIInChI=1S/C18H28N4O2/c1-14-15(2)19-13-20-18(14)24-12-16-5-8-21(9-6-16)10-11-22-7-3-4-17(22)23/h13,16H,3-12H2,1-2H3
InChIKeyGEQBGWSDQPFVIN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 134160466) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID134160466
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1ncnc(OCC2CCN(CCN3CCCC3=O)CC2)c1C
InChIInChI=1S/C18H28N4O2/c1-14-15(2)19-13-20-18(14)24-12-16-5-8-21(9-6-16)10-11-22-7-3-4-17(22)23/h13,16H,3-12H2,1-2H3
InChIKeyGEQBGWSDQPFVIN-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 134160583
4,4,4-Trifluoro-1-(4-{[(6-methylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)butan-1-one
CID 134160584
1-(4-{[(5,6-Dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-2-methoxyethan-1-one
CID 134160668
4,5-dimethyl-6-{[1-(1-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]methoxy}pyrimidine
CID 134160740
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 119100476
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 124892877
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 124892878
3-(4-(((5,6-Dimethylpyrimidin-4-yl)oxy)methyl)piperidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 134160526
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
4-(2-methylpropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 138636066
1-(4-ethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138665450
3-methyl-1-[4-(2-methylbutoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138666527

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 134160466) is 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one is Cc1ncnc(OCC2CCN(CCN3CCCC3=O)CC2)c1C.
What is the InChIKey of 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is GEQBGWSDQPFVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-15(2)19-13-20-18(14)24-12-16-5-8-21(9-6-16)10-11-22-7-3-4-17(22)23/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 134160466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).