5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione

C11H12N4O2 — CID 63801481

IUPAC5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESNc1cn(CCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c12-9-7-15(11(17)14-10(9)16)6-4-8-3-1-2-5-13-8/h1-3,5,7H,4,6,12H2,(H,14,16,17)
InChIKeyJCFUIFQLKMMTSX-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.24
Rot. Bonds3

About 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione

5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (PubChem CID 63801481) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
PubChem CID63801481
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESNc1cn(CCc2ccccn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c12-9-7-15(11(17)14-10(9)16)6-4-8-3-1-2-5-13-8/h1-3,5,7H,4,6,12H2,(H,14,16,17)
InChIKeyJCFUIFQLKMMTSX-UHFFFAOYSA-N
XLogP-0.24
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 80501795
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
5-amino-1-methyl-3-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 55240714
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 63799374

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (CID 63801481) is 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione is Nc1cn(CCc2ccccn2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The InChIKey is JCFUIFQLKMMTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-9-7-15(11(17)14-10(9)16)6-4-8-3-1-2-5-13-8/h1-3,5,7H,4,6,12H2,(H,14,16,17).
What are the key properties of 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63801481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).