3-[2-(methylamino)butyl]pyrimidin-4-one

C9H15N3O — CID 63769699

IUPAC3-[2-(methylamino)butyl]pyrimidin-4-one
SMILESCCC(Cn1cnccc1=O)NC
InChIInChI=1S/C9H15N3O/c1-3-8(10-2)6-12-7-11-5-4-9(12)13/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyFYGSZMZIEXHULX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds4

About 3-[2-(methylamino)butyl]pyrimidin-4-one

3-[2-(methylamino)butyl]pyrimidin-4-one (PubChem CID 63769699) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[2-(methylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(methylamino)butyl]pyrimidin-4-one
PubChem CID63769699
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[2-(methylamino)butyl]pyrimidin-4-one
SMILESCCC(Cn1cnccc1=O)NC
InChIInChI=1S/C9H15N3O/c1-3-8(10-2)6-12-7-11-5-4-9(12)13/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyFYGSZMZIEXHULX-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)butyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(methylamino)butyl]pyrimidin-4-one (CID 63769699) is 3-[2-(methylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(methylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(methylamino)butyl]pyrimidin-4-one is CCC(Cn1cnccc1=O)NC.
What is the InChIKey of 3-[2-(methylamino)butyl]pyrimidin-4-one?
The InChIKey is FYGSZMZIEXHULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8(10-2)6-12-7-11-5-4-9(12)13/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 3-[2-(methylamino)butyl]pyrimidin-4-one?
3-[2-(methylamino)butyl]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63769699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).