6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione

C9H11N3O2 — CID 91140674

IUPAC6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCn1c(=O)cc(CCN)[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-8(13)6-7(3-4-10)11-9(12)14/h1,6H,3-5,10H2,(H,11,14)
InChIKeyMNDMFYFQKRVYDQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-1.33
Rot. Bonds3

About 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione

6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione (PubChem CID 91140674) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
PubChem CID91140674
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
SMILESC#CCn1c(=O)cc(CCN)[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-8(13)6-7(3-4-10)11-9(12)14/h1,6H,3-5,10H2,(H,11,14)
InChIKeyMNDMFYFQKRVYDQ-UHFFFAOYSA-N
XLogP-1.33
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione (CID 91140674) is 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione is C#CCn1c(=O)cc(CCN)[nH]c1=O.
What is the InChIKey of 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione?
The InChIKey is MNDMFYFQKRVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-5-12-8(13)6-7(3-4-10)11-9(12)14/h1,6H,3-5,10H2,(H,11,14).
What are the key properties of 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione?
6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91140674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).