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

C19H26N2O5 — CID 110843564

IUPACmethyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCOc1c(OC)cccc1C1NC(=O)NC(CCC)=C1C(=O)OC
InChIInChI=1S/C19H26N2O5/c1-5-8-13-15(18(22)25-4)16(21-19(23)20-13)12-9-7-10-14(24-3)17(12)26-11-6-2/h7,9-10,16H,5-6,8,11H2,1-4H3,(H2,20,21,23)
InChIKeyCZBFAFKJZANDOM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds8

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

methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110843564) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110843564
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCOc1c(OC)cccc1C1NC(=O)NC(CCC)=C1C(=O)OC
InChIInChI=1S/C19H26N2O5/c1-5-8-13-15(18(22)25-4)16(21-19(23)20-13)12-9-7-10-14(24-3)17(12)26-11-6-2/h7,9-10,16H,5-6,8,11H2,1-4H3,(H2,20,21,23)
InChIKeyCZBFAFKJZANDOM-UHFFFAOYSA-N
XLogP3.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 6-(4-methoxyphenyl)-4-(3-methoxy-2-propoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843558
propan-2-yl 4-(2-ethoxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843217
ethyl (4R)-4-(2-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 741205
ethyl 4-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846790
propan-2-yl 6-butyl-4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846451
methyl 4-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847102
methyl 4-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845234
propyl 4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846435
methyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844342
methyl 4-(3-methoxy-4-nonoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846867
methyl 4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846438
methyl 6-butyl-4-[2-[(2-chlorophenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846114

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110843564) is methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCOc1c(OC)cccc1C1NC(=O)NC(CCC)=C1C(=O)OC.
What is the InChIKey of methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is CZBFAFKJZANDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-5-8-13-15(18(22)25-4)16(21-19(23)20-13)12-9-7-10-14(24-3)17(12)26-11-6-2/h7,9-10,16H,5-6,8,11H2,1-4H3,(H2,20,21,23).
What are the key properties of methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxy-2-propoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).