ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate

C12H20N2O3 — CID 15306519

IUPACethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCCC1N=C(OC)NC(C)=C1C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-5-7-9-10(11(15)17-6-2)8(3)13-12(14-9)16-4/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyNMNCFEWPXAYVMN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 15306519) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID15306519
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCCC1N=C(OC)NC(C)=C1C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-5-7-9-10(11(15)17-6-2)8(3)13-12(14-9)16-4/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyNMNCFEWPXAYVMN-UHFFFAOYSA-N
XLogP1.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306525
5-ethoxycarbonyl-2,6-dimethyl-4-propyl-1,4-dihydropyridine-3-carboxylic acid
CID 23220426
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98131682
ethyl 4-(2-chloroethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102341980
ethyl (4R)-2-oxo-4,6-dipropyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 93488806
diethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 90371743
diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185
diethyl 4-[(Z)-(3,4-dimethoxy-5-oxofuran-2-ylidene)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 102154592
ethyl 2-butylsulfanyl-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 11772871

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate (CID 15306519) is ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate is CCCC1N=C(OC)NC(C)=C1C(=O)OCC.
What is the InChIKey of ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is NMNCFEWPXAYVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-7-9-10(11(15)17-6-2)8(3)13-12(14-9)16-4/h9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate?
ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6-methyl-4-propyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 15306519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).