4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid

C12H17N3O2 — CID 116894072

IUPAC4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(C2CCN(C)CC2)nc(C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-8-7-10(14-11(13-8)12(16)17)9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRXWOZICXONUUNA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.29
Rot. Bonds2

About 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid

4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid (PubChem CID 116894072) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
PubChem CID116894072
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(C2CCN(C)CC2)nc(C(=O)O)n1
InChIInChI=1S/C12H17N3O2/c1-8-7-10(14-11(13-8)12(16)17)9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRXWOZICXONUUNA-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid (CID 116894072) is 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid is Cc1cc(C2CCN(C)CC2)nc(C(=O)O)n1.
What is the InChIKey of 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid?
The InChIKey is RXWOZICXONUUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-10(14-11(13-8)12(16)17)9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid?
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116894072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).