methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate

C13H19N3O2 — CID 114213969

IUPACmethyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1N1CCCC(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-16(8-9)12-11(13(17)18-3)7-14-10(2)15-12/h7,9H,4-6,8H2,1-3H3
InChIKeyAUSXEMDMYPWBLS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.81
Rot. Bonds2

About methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate

methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate (PubChem CID 114213969) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate
PubChem CID114213969
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1N1CCCC(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-16(8-9)12-11(13(17)18-3)7-14-10(2)15-12/h7,9H,4-6,8H2,1-3H3
InChIKeyAUSXEMDMYPWBLS-UHFFFAOYSA-N
XLogP1.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate (CID 114213969) is methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1N1CCCC(C)C1.
What is the InChIKey of methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate?
The InChIKey is AUSXEMDMYPWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-4-6-16(8-9)12-11(13(17)18-3)7-14-10(2)15-12/h7,9H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate?
methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 114213969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).