3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one

C11H19N3O — CID 63794739

IUPAC3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCCCC(C)NCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-3-4-10(2)13-7-8-14-9-12-6-5-11(14)15/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZDEATOGOPNWXFD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one

3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 63794739) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID63794739
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCCCC(C)NCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-3-4-10(2)13-7-8-14-9-12-6-5-11(14)15/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyZDEATOGOPNWXFD-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one (CID 63794739) is 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one is CCCC(C)NCCn1cnccc1=O.
What is the InChIKey of 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is ZDEATOGOPNWXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-10(2)13-7-8-14-9-12-6-5-11(14)15/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).