5-(2-aminoethyl)-1H-pyrimidine-2,4-dione

C6H9N3O2 — CID 15408027

IUPAC5-(2-aminoethyl)-1H-pyrimidine-2,4-dione
SMILESNCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-8-6(11)9-5(4)10/h3H,1-2,7H2,(H2,8,9,10,11)
InChIKeyWLHSZRSADZXZCR-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.44
Rot. Bonds2

About 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione

5-(2-aminoethyl)-1H-pyrimidine-2,4-dione (PubChem CID 15408027) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminoethyl)-1H-pyrimidine-2,4-dione
PubChem CID15408027
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(2-aminoethyl)-1H-pyrimidine-2,4-dione
SMILESNCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-8-6(11)9-5(4)10/h3H,1-2,7H2,(H2,8,9,10,11)
InChIKeyWLHSZRSADZXZCR-UHFFFAOYSA-N
XLogP-1.44
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione (CID 15408027) is 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione is NCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WLHSZRSADZXZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-2-1-4-3-8-6(11)9-5(4)10/h3H,1-2,7H2,(H2,8,9,10,11).
What are the key properties of 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione?
5-(2-aminoethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15408027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).