4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid

C9H11FN4O2 — CID 23149857

IUPAC4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H11FN4O2/c10-7-5-11-8(12-6-7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyMZRYHWUIRPYDMJ-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.42
Rot. Bonds1

About 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid

4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid (PubChem CID 23149857) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
PubChem CID23149857
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC Name4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C9H11FN4O2/c10-7-5-11-8(12-6-7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyMZRYHWUIRPYDMJ-UHFFFAOYSA-N
XLogP0.42
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoropyrimidin-2-yl)piperazine-1-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-(4-Methylpiperazin-1-Yl)Pyrimidin-5-Ylboronic Acid
CID 53216596
Methyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate
CID 4069427
4-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one
CID 75482849
Ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 10264288
Ethyl 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 19023482
5-Fluoro-2-(4-methylpiperazin-1-yl)pyrimidine
CID 21363886
5-Fluoro-2-(4-propylpiperazin-1-yl)pyrimidine
CID 21648969
2-(4-Butylpiperazin-1-yl)-5-fluoropyrimidine
CID 21648978
3-Amino-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 21916424
4-[[(5-Fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135677
tert-Butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 66623930

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid (CID 23149857) is 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is MZRYHWUIRPYDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2/c10-7-5-11-8(12-6-7)13-1-3-14(4-2-13)9(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid?
4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 226.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 23149857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).