2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206270

IUPAC2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-13-6-10-7-14-11(15-12(10)16)9-3-5-17-8-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyLYDOXEVRNZMAAO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.77
Rot. Bonds5

About 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one

2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206270) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206270
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-13-6-10-7-14-11(15-12(10)16)9-3-5-17-8-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyLYDOXEVRNZMAAO-UHFFFAOYSA-N
XLogP0.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one (CID 114206270) is 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cnc(C2CCOC2)[nH]c1=O.
What is the InChIKey of 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is LYDOXEVRNZMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-13-6-10-7-14-11(15-12(10)16)9-3-5-17-8-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).