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

C12H21N5O2 — CID 136978197

IUPAC5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCOC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c13-10-11(16-8-17-12(10)18)15-4-1-7-19-9-2-5-14-6-3-9/h8-9,14H,1-7,13H2,(H2,15,16,17,18)
InChIKeyAOIZGOANRPOIDL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.08
Rot. Bonds6

About 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one

5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136978197) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
PubChem CID136978197
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCOC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c13-10-11(16-8-17-12(10)18)15-4-1-7-19-9-2-5-14-6-3-9/h8-9,14H,1-7,13H2,(H2,15,16,17,18)
InChIKeyAOIZGOANRPOIDL-UHFFFAOYSA-N
XLogP-0.08
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (CID 136978197) is 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is Nc1c(NCCCOC2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is AOIZGOANRPOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-10-11(16-8-17-12(10)18)15-4-1-7-19-9-2-5-14-6-3-9/h8-9,14H,1-7,13H2,(H2,15,16,17,18).
What are the key properties of 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).