5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one

C10H17N3O — CID 83879434

IUPAC5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
SMILESCNCCc1cncn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-12-6-9(10(13)14)4-5-11-3/h6-8,11H,4-5H2,1-3H3
InChIKeyHUCYZWKSGODMGL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.59
Rot. Bonds4

About 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one

5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one (PubChem CID 83879434) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
PubChem CID83879434
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
SMILESCNCCc1cncn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-12-6-9(10(13)14)4-5-11-3/h6-8,11H,4-5H2,1-3H3
InChIKeyHUCYZWKSGODMGL-UHFFFAOYSA-N
XLogP0.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one (CID 83879434) is 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one is CNCCc1cncn(C(C)C)c1=O.
What is the InChIKey of 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The InChIKey is HUCYZWKSGODMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-7-12-6-9(10(13)14)4-5-11-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83879434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).