methyl 1,4-dihydropyrimidine-6-carboxylate

C6H8N2O2 — CID 141087185

IUPACmethyl 1,4-dihydropyrimidine-6-carboxylate
SMILESCOC(=O)C1=CCN=CN1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2,4H,3H2,1H3,(H,7,8)
InChIKeyJIQCVMJIXCULRD-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.33
Rot. Bonds1

About methyl 1,4-dihydropyrimidine-6-carboxylate

methyl 1,4-dihydropyrimidine-6-carboxylate (PubChem CID 141087185) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl 1,4-dihydropyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dihydropyrimidine-6-carboxylate
PubChem CID141087185
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namemethyl 1,4-dihydropyrimidine-6-carboxylate
SMILESCOC(=O)C1=CCN=CN1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2,4H,3H2,1H3,(H,7,8)
InChIKeyJIQCVMJIXCULRD-UHFFFAOYSA-N
XLogP-0.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57291578
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl 3-amino-1,2-dihydroimidazole-5-carboxylate
CID 155668932
methyl 3H-diazepine-7-carboxylate
CID 151590662
methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
CID 154866227
methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate
CID 155198489
methyl 1,2,3,5-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 141419529
methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
CID 149466006
methyl 2-oxo-1,3-dihydroazepine-5-carboxylate
CID 14983558
methyl 6-[(E)-3-oxobut-1-enyl]-1,4-dihydropyridine-2-carboxylate
CID 143874710
methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate
CID 68720790
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dihydropyrimidine-6-carboxylate?
The IUPAC name of methyl 1,4-dihydropyrimidine-6-carboxylate (CID 141087185) is methyl 1,4-dihydropyrimidine-6-carboxylate.
What is the SMILES notation for methyl 1,4-dihydropyrimidine-6-carboxylate?
The canonical SMILES for methyl 1,4-dihydropyrimidine-6-carboxylate is COC(=O)C1=CCN=CN1.
What is the InChIKey of methyl 1,4-dihydropyrimidine-6-carboxylate?
The InChIKey is JIQCVMJIXCULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2,4H,3H2,1H3,(H,7,8).
What are the key properties of methyl 1,4-dihydropyrimidine-6-carboxylate?
methyl 1,4-dihydropyrimidine-6-carboxylate has a molecular weight of 140.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dihydropyrimidine-6-carboxylate is sourced from PubChem (CID 141087185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).