2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione

C7H11N3O2 — CID 71757361

IUPAC2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h4H,2-3,8H2,1H3,(H,9,10,11,12)
InChIKeyZJACNWXRJUIJHH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.97
Rot. Bonds2

About 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione

2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione (PubChem CID 71757361) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione
PubChem CID71757361
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(CCN)NC1=O
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h4H,2-3,8H2,1H3,(H,9,10,11,12)
InChIKeyZJACNWXRJUIJHH-UHFFFAOYSA-N
XLogP-0.97
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione (CID 71757361) is 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione is CC1C(=O)N=C(CCN)NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione?
The InChIKey is ZJACNWXRJUIJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h4H,2-3,8H2,1H3,(H,9,10,11,12).
What are the key properties of 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione?
2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione has a molecular weight of 169.18 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-methyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 71757361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).