1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea

C17H19N5O3 — CID 167780730

IUPAC1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea
SMILESCOCC(NC(=O)Nc1cc(=O)n(C)cn1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H19N5O3/c1-22-10-19-15(8-16(22)23)21-17(24)20-14(9-25-2)11-3-4-13-12(7-11)5-6-18-13/h3-8,10,14,18H,9H2,1-2H3,(H2,20,21,24)
InChIKeyQKGQYVOLZFYUFX-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.77
Rot. Bonds5

About 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea

1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea (PubChem CID 167780730) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea
PubChem CID167780730
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea
SMILESCOCC(NC(=O)Nc1cc(=O)n(C)cn1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H19N5O3/c1-22-10-19-15(8-16(22)23)21-17(24)20-14(9-25-2)11-3-4-13-12(7-11)5-6-18-13/h3-8,10,14,18H,9H2,1-2H3,(H2,20,21,24)
InChIKeyQKGQYVOLZFYUFX-UHFFFAOYSA-N
XLogP1.77
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The IUPAC name of 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea (CID 167780730) is 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea.
What is the SMILES notation for 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The canonical SMILES for 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea is COCC(NC(=O)Nc1cc(=O)n(C)cn1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The InChIKey is QKGQYVOLZFYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-22-10-19-15(8-16(22)23)21-17(24)20-14(9-25-2)11-3-4-13-12(7-11)5-6-18-13/h3-8,10,14,18H,9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(1-methyl-6-oxopyrimidin-4-yl)urea is sourced from PubChem (CID 167780730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).