methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C22H24N2O4 — CID 110845065

IUPACmethyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(OCc3ccccc3C)cc2)NC(=O)N1
InChIInChI=1S/C22H24N2O4/c1-4-18-19(21(25)27-3)20(24-22(26)23-18)15-9-11-17(12-10-15)28-13-16-8-6-5-7-14(16)2/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)
InChIKeyAXEVZAXXVPOVMF-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.77
Rot. Bonds6

About methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110845065) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110845065
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(OCc3ccccc3C)cc2)NC(=O)N1
InChIInChI=1S/C22H24N2O4/c1-4-18-19(21(25)27-3)20(24-22(26)23-18)15-9-11-17(12-10-15)28-13-16-8-6-5-7-14(16)2/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)
InChIKeyAXEVZAXXVPOVMF-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110845065) is methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1=C(C(=O)OC)C(c2ccc(OCc3ccccc3C)cc2)NC(=O)N1.
What is the InChIKey of methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is AXEVZAXXVPOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-18-19(21(25)27-3)20(24-22(26)23-18)15-9-11-17(12-10-15)28-13-16-8-6-5-7-14(16)2/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26).
What are the key properties of methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110845065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).