1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol

C9H13ClN4O — CID 47151307

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
SMILESNc1nc(Cl)cc(N2CCCC(O)C2)n1
InChIInChI=1S/C9H13ClN4O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(15)5-14/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChIKeyROCFIMCCBFEAAG-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.67
Rot. Bonds1

About 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol

1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol (PubChem CID 47151307) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
PubChem CID47151307
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
SMILESNc1nc(Cl)cc(N2CCCC(O)C2)n1
InChIInChI=1S/C9H13ClN4O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(15)5-14/h4,6,15H,1-3,5H2,(H2,11,12,13)
InChIKeyROCFIMCCBFEAAG-UHFFFAOYSA-N
XLogP0.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol (CID 47151307) is 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol is Nc1nc(Cl)cc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol?
The InChIKey is ROCFIMCCBFEAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-7-4-8(13-9(11)12-7)14-3-1-2-6(15)5-14/h4,6,15H,1-3,5H2,(H2,11,12,13).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol?
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol has a molecular weight of 228.68 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 47151307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).