3-(2-aminoethyl)pyrimidin-4-one

C6H9N3O — CID 63769170

IUPAC3-(2-aminoethyl)pyrimidin-4-one
SMILESNCCn1cnccc1=O
InChIInChI=1S/C6H9N3O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4,7H2
InChIKeyBMPXAQFBGWZPTL-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.80
Rot. Bonds2

About 3-(2-aminoethyl)pyrimidin-4-one

3-(2-aminoethyl)pyrimidin-4-one (PubChem CID 63769170) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-(2-aminoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)pyrimidin-4-one
PubChem CID63769170
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-(2-aminoethyl)pyrimidin-4-one
SMILESNCCn1cnccc1=O
InChIInChI=1S/C6H9N3O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4,7H2
InChIKeyBMPXAQFBGWZPTL-UHFFFAOYSA-N
XLogP-0.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)pyrimidin-4-one (CID 63769170) is 3-(2-aminoethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)pyrimidin-4-one is NCCn1cnccc1=O.
What is the InChIKey of 3-(2-aminoethyl)pyrimidin-4-one?
The InChIKey is BMPXAQFBGWZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-2-4-9-5-8-3-1-6(9)10/h1,3,5H,2,4,7H2.
What are the key properties of 3-(2-aminoethyl)pyrimidin-4-one?
3-(2-aminoethyl)pyrimidin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)pyrimidin-4-one is sourced from PubChem (CID 63769170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).