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

C12H20N4O — CID 114206271

IUPAC5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-2-5-13-8-10-9-14-12(15-11(10)17)16-6-3-4-7-16/h9,13H,2-8H2,1H3,(H,14,15,17)
InChIKeyCWFFCCBUZADVGF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.87
Rot. Bonds5

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

5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 114206271) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID114206271
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O/c1-2-5-13-8-10-9-14-12(15-11(10)17)16-6-3-4-7-16/h9,13H,2-8H2,1H3,(H,14,15,17)
InChIKeyCWFFCCBUZADVGF-UHFFFAOYSA-N
XLogP0.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.87
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 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 114206271) is 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CCCNCc1cnc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is CWFFCCBUZADVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-13-8-10-9-14-12(15-11(10)17)16-6-3-4-7-16/h9,13H,2-8H2,1H3,(H,14,15,17).
What are the key properties of 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114206271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).