3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one

C13H15N3O2 — CID 115679486

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2cnccc2=O)c1C
InChIInChI=1S/C13H15N3O2/c1-9-6-15-11(10(2)13(9)18-3)7-16-8-14-5-4-12(16)17/h4-6,8H,7H2,1-3H3
InChIKeyMTSWKPAYIBUIPM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.31
Rot. Bonds3

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one (PubChem CID 115679486) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
PubChem CID115679486
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2cnccc2=O)c1C
InChIInChI=1S/C13H15N3O2/c1-9-6-15-11(10(2)13(9)18-3)7-16-8-14-5-4-12(16)17/h4-6,8H,7H2,1-3H3
InChIKeyMTSWKPAYIBUIPM-UHFFFAOYSA-N
XLogP1.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604585
3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
CID 107017591
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 55048942
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309659
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53201041
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 56781851
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-(2-chloroethyl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine
CID 63387078
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649289
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one (CID 115679486) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one is COc1c(C)cnc(Cn2cnccc2=O)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one?
The InChIKey is MTSWKPAYIBUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-6-15-11(10(2)13(9)18-3)7-16-8-14-5-4-12(16)17/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).