3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride

C14H26Cl2N6O — CID 3068550

IUPAC3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCC(N3CCCCC3)CC2)cc(N)n1O
InChIInChI=1S/C14H24N6O.2ClH/c15-12-10-13(17-14(16)20(12)21)19-8-4-11(5-9-19)18-6-2-1-3-7-18;;/h10-11,16,21H,1-9,15H2;2*1H/b16-14+;;
InChIKeyIUZNIVNAFNBVBG-UPONXUSQSA-N
MW365.31 g/mol
LogP1.48
Rot. Bonds2

About 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride

3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride (PubChem CID 3068550) has the molecular formula C14H26Cl2N6O and a molecular weight of 365.31 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride
PubChem CID3068550
Molecular FormulaC14H26Cl2N6O
Molecular Weight365.31 g/mol
Exact Mass364.15
IUPAC Name3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCC(N3CCCCC3)CC2)cc(N)n1O
InChIInChI=1S/C14H24N6O.2ClH/c15-12-10-13(17-14(16)20(12)21)19-8-4-11(5-9-19)18-6-2-1-3-7-18;;/h10-11,16,21H,1-9,15H2;2*1H/b16-14+;;
InChIKeyIUZNIVNAFNBVBG-UPONXUSQSA-N
XLogP1.48
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
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 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride (CID 3068550) is 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride is Cl.Cl.[H]/N=c1\nc(N2CCC(N3CCCCC3)CC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is IUZNIVNAFNBVBG-UPONXUSQSA-N. The full InChI is InChI=1S/C14H24N6O.2ClH/c15-12-10-13(17-14(16)20(12)21)19-8-4-11(5-9-19)18-6-2-1-3-7-18;;/h10-11,16,21H,1-9,15H2;2*1H/b16-14+;;.
What are the key properties of 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride?
3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 3068550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).