1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea

C10H12N6O — CID 134134239

IUPAC1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
SMILESCCNC(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N6O/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17)
InChIKeyLJKFJAJCKAYRAN-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.80
Rot. Bonds3

About 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea

1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea (PubChem CID 134134239) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
PubChem CID134134239
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
SMILESCCNC(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N6O/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17)
InChIKeyLJKFJAJCKAYRAN-UHFFFAOYSA-N
XLogP0.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea (CID 134134239) is 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea is CCNC(=O)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea?
The InChIKey is LJKFJAJCKAYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17).
What are the key properties of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea?
1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea has a molecular weight of 232.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 134134239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).