4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one

C12H20N4O2 — CID 136978190

IUPAC4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOC2CCNCC2)nc[nH]1
InChIInChI=1S/C12H20N4O2/c17-12-8-11(15-9-16-12)14-4-1-7-18-10-2-5-13-6-3-10/h8-10,13H,1-7H2,(H2,14,15,16,17)
InChIKeyFIOZBXCLKBOWIV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds6

About 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one

4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136978190) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
PubChem CID136978190
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOC2CCNCC2)nc[nH]1
InChIInChI=1S/C12H20N4O2/c17-12-8-11(15-9-16-12)14-4-1-7-18-10-2-5-13-6-3-10/h8-10,13H,1-7H2,(H2,14,15,16,17)
InChIKeyFIOZBXCLKBOWIV-UHFFFAOYSA-N
XLogP0.34
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586279
4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702384
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783270
4-(4-ethoxypiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954311
4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956891
4-(4-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957475
4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957477
4-(2-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957495
4-(4-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957564

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (CID 136978190) is 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCOC2CCNCC2)nc[nH]1.
What is the InChIKey of 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is FIOZBXCLKBOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-12-8-11(15-9-16-12)14-4-1-7-18-10-2-5-13-6-3-10/h8-10,13H,1-7H2,(H2,14,15,16,17).
What are the key properties of 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).