2-(1-aminoethyl)-1H-pyrimidin-6-one

C6H9N3O — CID 63362692

IUPAC2-(1-aminoethyl)-1H-pyrimidin-6-one
SMILESCC(N)c1nccc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(7)6-8-3-2-5(10)9-6/h2-4H,7H2,1H3,(H,8,9,10)
InChIKeyDNMUOLDVHMTPTH-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.21
Rot. Bonds1

About 2-(1-aminoethyl)-1H-pyrimidin-6-one

2-(1-aminoethyl)-1H-pyrimidin-6-one (PubChem CID 63362692) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(1-aminoethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-1H-pyrimidin-6-one
PubChem CID63362692
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(1-aminoethyl)-1H-pyrimidin-6-one
SMILESCC(N)c1nccc(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(7)6-8-3-2-5(10)9-6/h2-4H,7H2,1H3,(H,8,9,10)
InChIKeyDNMUOLDVHMTPTH-UHFFFAOYSA-N
XLogP-0.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-1H-pyrimidin-6-one (CID 63362692) is 2-(1-aminoethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-1H-pyrimidin-6-one is CC(N)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-1H-pyrimidin-6-one?
The InChIKey is DNMUOLDVHMTPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(7)6-8-3-2-5(10)9-6/h2-4H,7H2,1H3,(H,8,9,10).
What are the key properties of 2-(1-aminoethyl)-1H-pyrimidin-6-one?
2-(1-aminoethyl)-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).