methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

C15H18N2O5 — CID 646996

IUPACmethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1
InChIInChI=1S/C15H18N2O5/c1-8-12(16-15(19)17-13(8)14(18)22-4)10-6-5-9(20-2)7-11(10)21-3/h5-7,12H,1-4H3,(H2,16,17,19)
InChIKeyICTYFAFOECPVPV-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.50
Rot. Bonds4

About methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (PubChem CID 646996) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
PubChem CID646996
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1
InChIInChI=1S/C15H18N2O5/c1-8-12(16-15(19)17-13(8)14(18)22-4)10-6-5-9(20-2)7-11(10)21-3/h5-7,12H,1-4H3,(H2,16,17,19)
InChIKeyICTYFAFOECPVPV-UHFFFAOYSA-N
XLogP1.50
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CID 646996) is methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1.
What is the InChIKey of methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The InChIKey is ICTYFAFOECPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-8-12(16-15(19)17-13(8)14(18)22-4)10-6-5-9(20-2)7-11(10)21-3/h5-7,12H,1-4H3,(H2,16,17,19).
What are the key properties of methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 646996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).