1-(2-aminoethyl)pyrimidin-2-one

C6H9N3O — CID 16787020

IUPAC1-(2-aminoethyl)pyrimidin-2-one
SMILESNCCn1cccnc1=O
InChIInChI=1S/C6H9N3O/c7-2-5-9-4-1-3-8-6(9)10/h1,3-4H,2,5,7H2
InChIKeyKGMGVOWCSQUUDN-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.80
Rot. Bonds2

About 1-(2-aminoethyl)pyrimidin-2-one

1-(2-aminoethyl)pyrimidin-2-one (PubChem CID 16787020) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrimidin-2-one
PubChem CID16787020
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(2-aminoethyl)pyrimidin-2-one
SMILESNCCn1cccnc1=O
InChIInChI=1S/C6H9N3O/c7-2-5-9-4-1-3-8-6(9)10/h1,3-4H,2,5,7H2
InChIKeyKGMGVOWCSQUUDN-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 1-(2-aminoethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-aminoethyl)pyrimidin-2-one (CID 16787020) is 1-(2-aminoethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)pyrimidin-2-one is NCCn1cccnc1=O.
What is the InChIKey of 1-(2-aminoethyl)pyrimidin-2-one?
The InChIKey is KGMGVOWCSQUUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-2-5-9-4-1-3-8-6(9)10/h1,3-4H,2,5,7H2.
What are the key properties of 1-(2-aminoethyl)pyrimidin-2-one?
1-(2-aminoethyl)pyrimidin-2-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 1-(2-aminoethyl)pyrimidin-2-one is sourced from PubChem (CID 16787020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).