6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

C16H18N2O4 — CID 14096472

IUPAC6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyTVJMJYFDAZCCCI-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.42
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 14096472) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID14096472
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyTVJMJYFDAZCCCI-UHFFFAOYSA-N
XLogP1.42
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
N-{(acetylamino)[3-methoxy-4-(phenylmethoxy)phenyl]methyl}acetamide
CID 693353
N-allyl-N-(3,4-dimethoxybenzyl)morpholine-4-carboxamide
CID 4441793
Methyl 2-[1-(3,4-dimethoxybenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]acetate
CID 54682925
Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 661045
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2178138
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 651760
1-[4-[(3,4-Dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
4-((3,4-dimethoxyphenethyl)amino)-6-methylpyridin-2(1H)-one
CID 906230
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 2115877
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 5962759
N-(3,4-dimethoxybenzyl)-N-methyl-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280802

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (CID 14096472) is 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is TVJMJYFDAZCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 14096472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).