3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one

C14H17N3O3 — CID 119047122

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ccnc(Cn2cnc(C)c(C)c2=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-9-10(2)16-8-17(14(9)18)7-11-13(20-4)12(19-3)5-6-15-11/h5-6,8H,7H2,1-4H3
InChIKeyHGUWMJQTYRMSBT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.32
Rot. Bonds4

About 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one

3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 119047122) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID119047122
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCOc1ccnc(Cn2cnc(C)c(C)c2=O)c1OC
InChIInChI=1S/C14H17N3O3/c1-9-10(2)16-8-17(14(9)18)7-11-13(20-4)12(19-3)5-6-15-11/h5-6,8H,7H2,1-4H3
InChIKeyHGUWMJQTYRMSBT-UHFFFAOYSA-N
XLogP1.32
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
3-[(2-methoxy-4-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535534
11-[(3,4-dimethoxy-2-pyridinyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 119045913
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535535
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
CID 99832866
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 135638839
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
CID 121120641
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one (CID 119047122) is 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one is COc1ccnc(Cn2cnc(C)c(C)c2=O)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is HGUWMJQTYRMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(2)16-8-17(14(9)18)7-11-13(20-4)12(19-3)5-6-15-11/h5-6,8H,7H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one?
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 275.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 119047122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).