4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid

C11H16N4O2 — CID 16653151

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C11H16N4O2/c1-8-9(10(16)17)7-12-11(13-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyFMHAXISXKNVJSI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.24
Rot. Bonds2

About 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 16653151) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID16653151
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C11H16N4O2/c1-8-9(10(16)17)7-12-11(13-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyFMHAXISXKNVJSI-UHFFFAOYSA-N
XLogP0.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid (CID 16653151) is 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(N2CCN(C)CC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is FMHAXISXKNVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-9(10(16)17)7-12-11(13-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 16653151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).