1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine

C9H17N5O — CID 90137984

IUPAC1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)[NH+]1[O-]
InChIInChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,14H,1-5,10H2,(H2,11,12)
InChIKeyNYJXGLMHPJRQIL-UHFFFAOYSA-N
MW211.27 g/mol
LogP-1.69
Rot. Bonds1

About 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine

1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine (PubChem CID 90137984) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine.

Molecular Properties

Compound Name1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine
PubChem CID90137984
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)[NH+]1[O-]
InChIInChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,14H,1-5,10H2,(H2,11,12)
InChIKeyNYJXGLMHPJRQIL-UHFFFAOYSA-N
XLogP-1.69
TPSA95.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Hydroxy-4-piperidin-1-ylpyrimidine-2,4-diamine
CID 19591725
2-Amino-4-propylamino-6-piperidinopyrimidine 3-oxide
CID 22613289
1-Hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine
CID 22723700
3-hydroxy-6-piperidin-1-yl-N-propyl-2-propyliminopyrimidin-4-amine
CID 22723702
(2,4-diamino-6-piperidin-1-yl-4H-pyrimidin-3-yl) hydrogen sulfate
CID 67894556
3-Oxido-6-piperidin-1-yl-1,2-dihydropyrimidin-3-ium-2,4-diamine
CID 135768770
3-hydroxy-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
CID 163171510
(2,4-diamino-6-piperidin-1-yl-4H-pyrimidin-3-yl) hydrogen sulfate;hydrate
CID 173250989
1-Hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;piperidine
CID 174954469
3-Hydroxy-6-piperidin-1-yl-1,2-dihydropyrimidin-3-ium-2,4-diamine
CID 23166399
3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
CID 90137985

Frequently Asked Questions

What is the IUPAC name of 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine?
The IUPAC name of 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine (CID 90137984) is 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine.
What is the SMILES notation for 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine?
The canonical SMILES for 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine is NC1=NC(N2CCCCC2)=CC(N)[NH+]1[O-].
What is the InChIKey of 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine?
The InChIKey is NYJXGLMHPJRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7,14H,1-5,10H2,(H2,11,12).
What are the key properties of 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine?
1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine has a molecular weight of 211.27 g/mol, XLogP of -1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine is sourced from PubChem (CID 90137984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).