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

C16H20N2O4 — CID 71551245

IUPAC(4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1NC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C16H20N2O4/c1-4-13-14(10(2)17-16(20)18-13)15(19)22-9-11-5-7-12(21-3)8-6-11/h5-8,13H,4,9H2,1-3H3,(H2,17,18,20)
InChIKeyCAPJXJZXYVLQBS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.10
Rot. Bonds5

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

(4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 71551245) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID71551245
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1NC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C16H20N2O4/c1-4-13-14(10(2)17-16(20)18-13)15(19)22-9-11-5-7-12(21-3)8-6-11/h5-8,13H,4,9H2,1-3H3,(H2,17,18,20)
InChIKeyCAPJXJZXYVLQBS-UHFFFAOYSA-N
XLogP2.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl (4S)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1351109
(4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1351228
(4-methoxyphenyl)methyl 4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3656501
(4-methoxyphenyl)methyl (4R)-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7472845
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71552040
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
ethyl 4-ethyl-6-[(5-methylfuran-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18079340
(4-methylphenyl)methyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854982
2-ethylsulfanylethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7088756
(4-methylphenyl)methyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 695424
(4-methylphenyl)methyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854571
(4-methylphenyl)methyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3131429

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 71551245) is (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1NC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is CAPJXJZXYVLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-13-14(10(2)17-16(20)18-13)15(19)22-9-11-5-7-12(21-3)8-6-11/h5-8,13H,4,9H2,1-3H3,(H2,17,18,20).
What are the key properties of (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71551245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).