methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate

C7H10N2O2 — CID 155198489

IUPACmethyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate
SMILESCOC(=O)C1=NCC(C)=CN1
InChIInChI=1S/C7H10N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyWREYLUNSOBGAIC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.06
Rot. Bonds1

About methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate

methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate (PubChem CID 155198489) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate
PubChem CID155198489
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate
SMILESCOC(=O)C1=NCC(C)=CN1
InChIInChI=1S/C7H10N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3H,4H2,1-2H3,(H,8,9)
InChIKeyWREYLUNSOBGAIC-UHFFFAOYSA-N
XLogP0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate?
The IUPAC name of methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate (CID 155198489) is methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate is COC(=O)C1=NCC(C)=CN1.
What is the InChIKey of methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate?
The InChIKey is WREYLUNSOBGAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate?
methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,4-dihydropyrimidine-2-carboxylate is sourced from PubChem (CID 155198489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).