2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid

C15H24N4O2 — CID 115415698

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(CC2CN(C)CCN2C)ncc1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-10(2)14-12(15(20)21)8-16-13(17-14)7-11-9-18(3)5-6-19(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyIWQRIPIHTCVCAF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.09
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid

2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 115415698) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID115415698
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(CC2CN(C)CCN2C)ncc1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-10(2)14-12(15(20)21)8-16-13(17-14)7-11-9-18(3)5-6-19(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyIWQRIPIHTCVCAF-UHFFFAOYSA-N
XLogP1.09
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 115415776
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
CID 115415733
2-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62902963
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 113305395
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
2-[[5-(chloromethyl)-1H-imidazol-2-yl]methyl]-1,4-dimethylpiperazine
CID 115415877
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 115415698) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1nc(CC2CN(C)CCN2C)ncc1C(=O)O.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is IWQRIPIHTCVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)14-12(15(20)21)8-16-13(17-14)7-11-9-18(3)5-6-19(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,20,21).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 115415698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).