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

C13H22N4O2 — CID 136978199

IUPAC2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-10-16-12(9-13(18)17-10)15-5-2-8-19-11-3-6-14-7-4-11/h9,11,14H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyWWLYZQDLTHCJSC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.65
Rot. Bonds6

About 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one

2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136978199) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
PubChem CID136978199
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-10-16-12(9-13(18)17-10)15-5-2-8-19-11-3-6-14-7-4-11/h9,11,14H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyWWLYZQDLTHCJSC-UHFFFAOYSA-N
XLogP0.65
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one (CID 136978199) is 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is Cc1nc(NCCCOC2CCNCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is WWLYZQDLTHCJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-16-12(9-13(18)17-10)15-5-2-8-19-11-3-6-14-7-4-11/h9,11,14H,2-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one?
2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).