6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid

C14H22N4O2 — CID 107553845

IUPAC6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-17-4-6-18(7-5-17)14-15-11(3)8-12(16-14)13(19)20/h8,10H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyMYRMOIOYVHRGED-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.26
Rot. Bonds4

About 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid

6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 107553845) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID107553845
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-17-4-6-18(7-5-17)14-15-11(3)8-12(16-14)13(19)20/h8,10H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyMYRMOIOYVHRGED-UHFFFAOYSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
5-amino-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 114406421
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 46966117
4-[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109326145
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
2-[4-(4-tert-butyl-6-methylpyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 82166099
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
CID 99827479
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid (CID 107553845) is 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CCN(CC(C)C)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is MYRMOIOYVHRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)9-17-4-6-18(7-5-17)14-15-11(3)8-12(16-14)13(19)20/h8,10H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid?
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).