(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate

C9H15N5O4S — CID 4219798

IUPAC(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1OS(=O)(=O)O
InChIInChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,11H,1-5,10H2,(H,15,16,17)/b11-9+
InChIKeyDHVJQUFZGZOFFY-PKNBQFBNSA-N
MW289.32 g/mol
LogP-0.83
Rot. Bonds3

About (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate

(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate (PubChem CID 4219798) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate.

Molecular Properties

Compound Name(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
PubChem CID4219798
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1OS(=O)(=O)O
InChIInChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,11H,1-5,10H2,(H,15,16,17)/b11-9+
InChIKeyDHVJQUFZGZOFFY-PKNBQFBNSA-N
XLogP-0.83
TPSA134.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Minoxidil
CID 4201
1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine
CID 138113345
2,6-Diamino-4-(piperidin-1-yl)pyrimidine 1-oxide sulfate
CID 22223456
6-(1-Piperidinyl)pyrimidine-2,4-diamine 3-oxide
CID 135743713
Minoxidil hydrochloride
CID 16116765
3-Hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid
CID 18770501
1-Hydroxy-4-piperidin-1-ylpyrimidin-2-imine
CID 23200357
Tripotassium;3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
CID 68525096
3-Hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride
CID 69304311
1-Hydroxy-6-imino-2-piperidin-1-ylpyrimidin-4-amine
CID 139636292
1-Hydroxy-4-imino-6-piperidin-1-ylpyrimidin-2-amine
CID 141555382
(2,4-Diamino-6-piperidin-1-yl-1,2-dihydropyrimidin-3-ium-3-yl) hydrogen sulfate hydroxide
CID 141567484

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate?
The IUPAC name of (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate (CID 4219798) is (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate.
What is the SMILES notation for (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate?
The canonical SMILES for (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate is [H]/N=c1\nc(N2CCCCC2)cc(N)n1OS(=O)(=O)O.
What is the InChIKey of (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate?
The InChIKey is DHVJQUFZGZOFFY-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,11H,1-5,10H2,(H,15,16,17)/b11-9+.
What are the key properties of (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate?
(6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate has a molecular weight of 289.32 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate is sourced from PubChem (CID 4219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).