ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C8H14N2O2 — CID 102424167

IUPACethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NCNC1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h9-10H,3-5H2,1-2H3
InChIKeyJKHJOBYTWCBILK-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.03
Rot. Bonds2

About ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (PubChem CID 102424167) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
PubChem CID102424167
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NCNC1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h9-10H,3-5H2,1-2H3
InChIKeyJKHJOBYTWCBILK-UHFFFAOYSA-N
XLogP-0.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
CID 71682289
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
ethyl 4-(hydroxymethylsulfonyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 69428464
ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate
CID 141400249
ethyl 4-ethoxy-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 45094311
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 4-(2,4,5-trifluorophenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 143821213
ethyl 6-methyl-3-methylidene-2,4-dihydro-1H-pyridazine-5-carboxylate
CID 3330953
3-O-ethyl 5-O-fluoro 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143531548
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CID 102424167) is ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NCNC1.
What is the InChIKey of ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The InChIKey is JKHJOBYTWCBILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-8(11)7-4-9-5-10-6(7)2/h9-10H,3-5H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate has a molecular weight of 170.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is sourced from PubChem (CID 102424167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).