3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one

C18H24N4O2 — CID 53201041

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2c(N3CCCC3)nc(C)cc2=O)c1C
InChIInChI=1S/C18H24N4O2/c1-12-10-19-15(14(3)17(12)24-4)11-22-16(23)9-13(2)20-18(22)21-7-5-6-8-21/h9-10H,5-8,11H2,1-4H3
InChIKeyUQCYUGZGKOHWRA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.22
Rot. Bonds4

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 53201041) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID53201041
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2c(N3CCCC3)nc(C)cc2=O)c1C
InChIInChI=1S/C18H24N4O2/c1-12-10-19-15(14(3)17(12)24-4)11-22-16(23)9-13(2)20-18(22)21-7-5-6-8-21/h9-10H,5-8,11H2,1-4H3
InChIKeyUQCYUGZGKOHWRA-UHFFFAOYSA-N
XLogP2.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309659
2-chloro-10-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 71652884
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 103182844
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
6-methyl-3-[(4-nitrophenyl)methyl]-2-piperidin-1-ylpyrimidin-4-one
CID 30322637
(5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95727661
3-[(4-methyl-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl)methyl]benzonitrile
CID 53201042
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one (CID 53201041) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one is COc1c(C)cnc(Cn2c(N3CCCC3)nc(C)cc2=O)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is UQCYUGZGKOHWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-19-15(14(3)17(12)24-4)11-22-16(23)9-13(2)20-18(22)21-7-5-6-8-21/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53201041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).