1-(2-aminopropyl)pyrimidine-2,4-dione

C7H11N3O2 — CID 66763882

IUPAC1-(2-aminopropyl)pyrimidine-2,4-dione
SMILESCC(N)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12)
InChIKeyCCWUXFXNCWVFRP-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.12
Rot. Bonds2

About 1-(2-aminopropyl)pyrimidine-2,4-dione

1-(2-aminopropyl)pyrimidine-2,4-dione (PubChem CID 66763882) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-aminopropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-aminopropyl)pyrimidine-2,4-dione
PubChem CID66763882
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(2-aminopropyl)pyrimidine-2,4-dione
SMILESCC(N)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12)
InChIKeyCCWUXFXNCWVFRP-UHFFFAOYSA-N
XLogP-1.12
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-aminopropyl)pyrimidine-2,4-dione (CID 66763882) is 1-(2-aminopropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-aminopropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-aminopropyl)pyrimidine-2,4-dione is CC(N)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(2-aminopropyl)pyrimidine-2,4-dione?
The InChIKey is CCWUXFXNCWVFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(8)4-10-3-2-6(11)9-7(10)12/h2-3,5H,4,8H2,1H3,(H,9,11,12).
What are the key properties of 1-(2-aminopropyl)pyrimidine-2,4-dione?
1-(2-aminopropyl)pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).