5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione

C11H15N3O2 — CID 66327962

IUPAC5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione
SMILESC#CCNCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-3-5-12-6-7-14-8-9(4-2)10(15)13-11(14)16/h1,8,12H,4-7H2,2H3,(H,13,15,16)
InChIKeyZCNAKAZIIXNRSC-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.68
Rot. Bonds5

About 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66327962) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66327962
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione
SMILESC#CCNCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-3-5-12-6-7-14-8-9(4-2)10(15)13-11(14)16/h1,8,12H,4-7H2,2H3,(H,13,15,16)
InChIKeyZCNAKAZIIXNRSC-UHFFFAOYSA-N
XLogP-0.68
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
CID 66327971
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
CID 66329530
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
4-(5-ethyl-2,4-dioxopyrimidin-1-yl)butanenitrile
CID 66330702
1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
CID 66330717
5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione
CID 66423993
5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 66330325
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
5-ethyl-1-(2-piperidin-4-ylethyl)pyrimidine-2,4-dione
CID 105061182

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione (CID 66327962) is 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione is C#CCNCCn1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is ZCNAKAZIIXNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-5-12-6-7-14-8-9(4-2)10(15)13-11(14)16/h1,8,12H,4-7H2,2H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66327962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).