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

C15H18N2O4 — CID 63812375

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C15H18N2O4/c1-4-16-8-7-14(18)17(15(16)19)10-11-5-6-12(20-2)13(9-11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyNEKBBHXVNBLPMF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds5

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

3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 63812375) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID63812375
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C15H18N2O4/c1-4-16-8-7-14(18)17(15(16)19)10-11-5-6-12(20-2)13(9-11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyNEKBBHXVNBLPMF-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104033
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetonitrile
CID 15958286
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
1-ethyl-3-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-one
CID 116624304
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-ethyl-5-(trifluoromethyl)benzimidazol-2-one
CID 138735576

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione (CID 63812375) is 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is NEKBBHXVNBLPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-16-8-7-14(18)17(15(16)19)10-11-5-6-12(20-2)13(9-11)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione?
3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 63812375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).