6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione

C17H13N5O3S — CID 135445115

IUPAC6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccn2c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)c(-c3cccs3)nc2c1
InChIInChI=1S/C17H13N5O3S/c1-9-4-5-22-12(7-9)19-13(11-3-2-6-26-11)14(22)18-8-10-15(23)20-17(25)21-16(10)24/h2-8H,1H3,(H3,20,21,23,24,25)/b18-8+
InChIKeyQDOCDSQUYMZUSE-QGMBQPNBSA-N
MW367.39 g/mol
LogP2.20
Rot. Bonds3

About 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 135445115) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID135445115
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccn2c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)c(-c3cccs3)nc2c1
InChIInChI=1S/C17H13N5O3S/c1-9-4-5-22-12(7-9)19-13(11-3-2-6-26-11)14(22)18-8-10-15(23)20-17(25)21-16(10)24/h2-8H,1H3,(H3,20,21,23,24,25)/b18-8+
InChIKeyQDOCDSQUYMZUSE-QGMBQPNBSA-N
XLogP2.20
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione (CID 135445115) is 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione is Cc1ccn2c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)c(-c3cccs3)nc2c1.
What is the InChIKey of 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QDOCDSQUYMZUSE-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H13N5O3S/c1-9-4-5-22-12(7-9)19-13(11-3-2-6-26-11)14(22)18-8-10-15(23)20-17(25)21-16(10)24/h2-8H,1H3,(H3,20,21,23,24,25)/b18-8+.
What are the key properties of 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 367.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135445115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).