1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid

C10H14N4O2 — CID 170957533

IUPAC1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C10H14N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16)(H2,11,12,13)
InChIKeyRJZJAPNGEGQYSD-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.36
Rot. Bonds2

About 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 170957533) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID170957533
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C10H14N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16)(H2,11,12,13)
InChIKeyRJZJAPNGEGQYSD-UHFFFAOYSA-N
XLogP0.36
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
CID 78930041
1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid (CID 170957533) is 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1cc(N2CCC(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is RJZJAPNGEGQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16)(H2,11,12,13).
What are the key properties of 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 170957533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).