1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea

C18H16N8O — CID 45484765

IUPAC1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cncnc3)cc2n1
InChIInChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)
InChIKeyXPIBGMJVUKLMNV-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.39
Rot. Bonds4

About 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea

1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea (PubChem CID 45484765) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea
PubChem CID45484765
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cncnc3)cc2n1
InChIInChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)
InChIKeyXPIBGMJVUKLMNV-UHFFFAOYSA-N
XLogP2.39
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea (CID 45484765) is 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea is CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cncnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea?
The InChIKey is XPIBGMJVUKLMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27).
What are the key properties of 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea?
1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea has a molecular weight of 360.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-pyrimidin-2-yl-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl)urea is sourced from PubChem (CID 45484765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).