1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine

C14H26N6O — CID 174954469

IUPAC1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine
SMILESC1CCNCC1.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O.C5H11N/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-2-4-6-5-3-1/h6,10,15H,1-5H2,(H2,11,12);6H,1-5H2/b10-7+;
InChIKeyLMFNDADIGOOIIE-HCUGZAAXSA-N
MW294.40 g/mol
LogP0.93
Rot. Bonds1

About 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine

1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine (PubChem CID 174954469) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine
PubChem CID174954469
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine
SMILESC1CCNCC1.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O.C5H11N/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-2-4-6-5-3-1/h6,10,15H,1-5H2,(H2,11,12);6H,1-5H2/b10-7+;
InChIKeyLMFNDADIGOOIIE-HCUGZAAXSA-N
XLogP0.93
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine?
The IUPAC name of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine (CID 174954469) is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine.
What is the SMILES notation for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine?
The canonical SMILES for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine is C1CCNCC1.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine?
The InChIKey is LMFNDADIGOOIIE-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H15N5O.C5H11N/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-2-4-6-5-3-1/h6,10,15H,1-5H2,(H2,11,12);6H,1-5H2/b10-7+;.
What are the key properties of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine?
1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine has a molecular weight of 294.40 g/mol, XLogP of 0.93, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine is sourced from PubChem (CID 174954469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).