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

C13H20N4O2 — CID 83181655

IUPAC4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCN(c2ncc(C(=O)O)c(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-4-16-5-7-17(8-6-16)13-14-9-11(12(18)19)10(2)15-13/h9H,3-8H2,1-2H3,(H,18,19)
InChIKeyUPLIQPIVCGQECL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds4

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

4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 83181655) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID83181655
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCN(c2ncc(C(=O)O)c(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-4-16-5-7-17(8-6-16)13-14-9-11(12(18)19)10(2)15-13/h9H,3-8H2,1-2H3,(H,18,19)
InChIKeyUPLIQPIVCGQECL-UHFFFAOYSA-N
XLogP1.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 62710173
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
2-(2-ethylimidazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181858
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
4-propyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylic acid
CID 91888329
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83183922
2-(4-ethylpiperazin-1-yl)-4-methyl-5-propylpyrimidine
CID 143595254
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid (CID 83181655) is 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid is CCCN1CCN(c2ncc(C(=O)O)c(C)n2)CC1.
What is the InChIKey of 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is UPLIQPIVCGQECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-16-5-7-17(8-6-16)13-14-9-11(12(18)19)10(2)15-13/h9H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).