5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione

C11H15N5O2 — CID 63799585

IUPAC5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCn2cccn2)c1=O
InChIInChI=1S/C11H15N5O2/c1-2-14-8-9(12)10(17)16(11(14)18)7-6-15-5-3-4-13-15/h3-5,8H,2,6-7,12H2,1H3
InChIKeyHTJYUORQRCLDOM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.49
Rot. Bonds4

About 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione

5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 63799585) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
PubChem CID63799585
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(CCn2cccn2)c1=O
InChIInChI=1S/C11H15N5O2/c1-2-14-8-9(12)10(17)16(11(14)18)7-6-15-5-3-4-13-15/h3-5,8H,2,6-7,12H2,1H3
InChIKeyHTJYUORQRCLDOM-UHFFFAOYSA-N
XLogP-0.49
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione (CID 63799585) is 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione is CCn1cc(N)c(=O)n(CCn2cccn2)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is HTJYUORQRCLDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-14-8-9(12)10(17)16(11(14)18)7-6-15-5-3-4-13-15/h3-5,8H,2,6-7,12H2,1H3.
What are the key properties of 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione?
5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63799585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).