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

C19H18N8O — CID 45484766

IUPAC1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cncnc3)cc2n1
InChIInChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28)
InChIKeyFVGMXEKHKSNPMB-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.70
Rot. Bonds4

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

1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484766) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID45484766
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cncnc3)cc2n1
InChIInChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28)
InChIKeyFVGMXEKHKSNPMB-UHFFFAOYSA-N
XLogP2.70
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.70
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-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 45484766) is 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cncnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is FVGMXEKHKSNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28).
What are the key properties of 1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 374.41 g/mol, XLogP of 2.70, 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-(5-methylpyrimidin-2-yl)-7-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).