5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136979509

IUPAC5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15)
InChIKeyTYXSQCNUVWMORJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.69
Rot. Bonds1

About 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979509) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979509
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15)
InChIKeyTYXSQCNUVWMORJ-UHFFFAOYSA-N
XLogP-0.69
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136979509) is 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CCCC(O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is TYXSQCNUVWMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5-6,14H,1-4,10H2,(H,11,12,15).
What are the key properties of 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).