1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid

C10H15N5O2 — CID 19137230

IUPAC1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)CC2)c1N
InChIInChI=1S/C10H15N5O2/c11-7-8(12)13-5-14-9(7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H2,12,13,14)
InChIKeyIMARAWWYMLUCBB-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.06
Rot. Bonds2

About 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid

1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 19137230) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID19137230
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)CC2)c1N
InChIInChI=1S/C10H15N5O2/c11-7-8(12)13-5-14-9(7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H2,12,13,14)
InChIKeyIMARAWWYMLUCBB-UHFFFAOYSA-N
XLogP-0.06
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
1-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19139209
1-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19147413
1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19149383
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22541547
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid (CID 19137230) is 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1ncnc(N2CCC(C(=O)O)CC2)c1N.
What is the InChIKey of 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is IMARAWWYMLUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-7-8(12)13-5-14-9(7)15-3-1-6(2-4-15)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H2,12,13,14).
What are the key properties of 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 19137230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).