1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione

C13H16N4O2 — CID 66321921

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cncn2C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-2-9-6-16(13(19)15-12(9)18)7-11-5-14-8-17(11)10-3-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,15,18,19)
InChIKeyIRQFKKXGESNTBJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.68
Rot. Bonds4

About 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66321921) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66321921
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cncn2C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-2-9-6-16(13(19)15-12(9)18)7-11-5-14-8-17(11)10-3-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,15,18,19)
InChIKeyIRQFKKXGESNTBJ-UHFFFAOYSA-N
XLogP0.68
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66321921) is 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2cncn2C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is IRQFKKXGESNTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-9-6-16(13(19)15-12(9)18)7-11-5-14-8-17(11)10-3-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,15,18,19).
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 260.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66321921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).