3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione

C14H17N3O4 — CID 103174083

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nccc(OC)c2OC)c1=O
InChIInChI=1S/C14H17N3O4/c1-4-16-8-6-12(18)17(14(16)19)9-10-13(21-3)11(20-2)5-7-15-10/h5-8H,4,9H2,1-3H3
InChIKeyVRKIOIOYVDFRGP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.49
Rot. Bonds5

About 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione

3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 103174083) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID103174083
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nccc(OC)c2OC)c1=O
InChIInChI=1S/C14H17N3O4/c1-4-16-8-6-12(18)17(14(16)19)9-10-13(21-3)11(20-2)5-7-15-10/h5-8H,4,9H2,1-3H3
InChIKeyVRKIOIOYVDFRGP-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 135638839
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63812375
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
CID 99832866
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 103173351

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione (CID 103174083) is 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2nccc(OC)c2OC)c1=O.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is VRKIOIOYVDFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-16-8-6-12(18)17(14(16)19)9-10-13(21-3)11(20-2)5-7-15-10/h5-8H,4,9H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione?
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 103174083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).