4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one

C18H23N5O3 — CID 46989881

IUPAC4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(Oc3ncccn3)CC2)c(=O)n1
InChIInChI=1S/C18H23N5O3/c1-13-12-14(2)23(18(25)21-13)11-6-16(24)22-9-4-15(5-10-22)26-17-19-7-3-8-20-17/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKeyVBPRXOGXVYBFJG-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.11
Rot. Bonds5

About 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one

4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one (PubChem CID 46989881) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one
PubChem CID46989881
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(Oc3ncccn3)CC2)c(=O)n1
InChIInChI=1S/C18H23N5O3/c1-13-12-14(2)23(18(25)21-13)11-6-16(24)22-9-4-15(5-10-22)26-17-19-7-3-8-20-17/h3,7-8,12,15H,4-6,9-11H2,1-2H3
InChIKeyVBPRXOGXVYBFJG-UHFFFAOYSA-N
XLogP1.11
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
3-(4-methyl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 72862369
2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
3-[1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 127248193
1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 166599051
1-(4-pyrimidin-2-yloxypiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 131897012
1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 127251522
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one
CID 171906546

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one (CID 46989881) is 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one is Cc1cc(C)n(CCC(=O)N2CCC(Oc3ncccn3)CC2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one?
The InChIKey is VBPRXOGXVYBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-12-14(2)23(18(25)21-13)11-6-16(24)22-9-4-15(5-10-22)26-17-19-7-3-8-20-17/h3,7-8,12,15H,4-6,9-11H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one?
4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[3-oxo-3-(4-pyrimidin-2-yloxypiperidin-1-yl)propyl]pyrimidin-2-one is sourced from PubChem (CID 46989881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).