1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine

C12H21N5O — CID 22613289

IUPAC1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine
SMILESCCC/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C12H21N5O/c1-2-6-14-10-9-11(15-12(13)17(10)18)16-7-4-3-5-8-16/h9,18H,2-8H2,1H3,(H2,13,15)/b14-10+
InChIKeyQBCLOTAFCDYVQJ-GXDHUFHOSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds3

About 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine

1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine (PubChem CID 22613289) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine
PubChem CID22613289
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine
SMILESCCC/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C12H21N5O/c1-2-6-14-10-9-11(15-12(13)17(10)18)16-7-4-3-5-8-16/h9,18H,2-8H2,1H3,(H2,13,15)/b14-10+
InChIKeyQBCLOTAFCDYVQJ-GXDHUFHOSA-N
XLogP1.00
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine?
The IUPAC name of 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine (CID 22613289) is 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine is CCC/N=c1\cc(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine?
The InChIKey is QBCLOTAFCDYVQJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-6-14-10-9-11(15-12(13)17(10)18)16-7-4-3-5-8-16/h9,18H,2-8H2,1H3,(H2,13,15)/b14-10+.
What are the key properties of 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine?
1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-piperidin-1-yl-6-propyliminopyrimidin-2-amine is sourced from PubChem (CID 22613289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).