4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one

C12H20N4O2 — CID 136978741

IUPAC4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCCCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c13-4-1-7-18-10-2-5-16(6-3-10)11-8-12(17)15-9-14-11/h8-10H,1-7,13H2,(H,14,15,17)
InChIKeyYXHAAMZCODFMOT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds5

About 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one

4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136978741) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136978741
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCCCOC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O2/c13-4-1-7-18-10-2-5-16(6-3-10)11-8-12(17)15-9-14-11/h8-10H,1-7,13H2,(H,14,15,17)
InChIKeyYXHAAMZCODFMOT-UHFFFAOYSA-N
XLogP0.10
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136978741) is 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one is NCCCOC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YXHAAMZCODFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-4-1-7-18-10-2-5-16(6-3-10)11-8-12(17)15-9-14-11/h8-10H,1-7,13H2,(H,14,15,17).
What are the key properties of 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).