4-(piperidin-1-ylamino)-1H-pyrimidin-6-one

C9H14N4O — CID 136976653

IUPAC4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCCCC2)nc[nH]1
InChIInChI=1S/C9H14N4O/c14-9-6-8(10-7-11-9)12-13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12,14)
InChIKeyZIFSCCJCBIGDBY-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.58
Rot. Bonds2

About 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one

4-(piperidin-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976653) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136976653
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCCCC2)nc[nH]1
InChIInChI=1S/C9H14N4O/c14-9-6-8(10-7-11-9)12-13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12,14)
InChIKeyZIFSCCJCBIGDBY-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one (CID 136976653) is 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one is O=c1cc(NN2CCCCC2)nc[nH]1.
What is the InChIKey of 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is ZIFSCCJCBIGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-6-8(10-7-11-9)12-13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,10,11,12,14).
What are the key properties of 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
4-(piperidin-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).