4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C13H19N3O2 — CID 136886310

IUPAC4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-13-6-11(7-14-10-1-2-10)15-12(16-13)5-9-3-4-18-8-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17)
InChIKeyRCFCUOJFJCRUKR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.60
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136886310) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136886310
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CC2)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-13-6-11(7-14-10-1-2-10)15-12(16-13)5-9-3-4-18-8-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17)
InChIKeyRCFCUOJFJCRUKR-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 136886310) is 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(CNC2CC2)nc(CC2CCOC2)[nH]1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is RCFCUOJFJCRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-6-11(7-14-10-1-2-10)15-12(16-13)5-9-3-4-18-8-9/h6,9-10,14H,1-5,7-8H2,(H,15,16,17).
What are the key properties of 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136886310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).