2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid

C9H13N5O2 — CID 165494645

IUPAC2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(N2CCNCC2)n1
InChIInChI=1S/C9H13N5O2/c10-9-12-6(8(15)16)5-7(13-9)14-3-1-11-2-4-14/h5,11H,1-4H2,(H,15,16)(H2,10,12,13)
InChIKeyADTGPDOVEWNEJF-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.83
Rot. Bonds2

About 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid

2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid (PubChem CID 165494645) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
PubChem CID165494645
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(N2CCNCC2)n1
InChIInChI=1S/C9H13N5O2/c10-9-12-6(8(15)16)5-7(13-9)14-3-1-11-2-4-14/h5,11H,1-4H2,(H,15,16)(H2,10,12,13)
InChIKeyADTGPDOVEWNEJF-UHFFFAOYSA-N
XLogP-0.83
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 59777241
1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]imidazolidin-2-one
CID 25130234
methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
CID 174326675
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-amine
CID 77231452
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
3-piperazin-1-yl-1H-pyrazol-5-amine
CID 123624176

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid (CID 165494645) is 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid is Nc1nc(C(=O)O)cc(N2CCNCC2)n1.
What is the InChIKey of 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is ADTGPDOVEWNEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-9-12-6(8(15)16)5-7(13-9)14-3-1-11-2-4-14/h5,11H,1-4H2,(H,15,16)(H2,10,12,13).
What are the key properties of 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid?
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 223.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 165494645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).