6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one

C16H15N5O2S — CID 134806479

IUPAC6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccsc3)c2n1
InChIInChI=1S/C16H15N5O2S/c1-19-8-13(11-4-6-24-10-11)15-18-12(7-21(15)16(19)22)9-23-14-3-5-17-20(14)2/h3-8,10H,9H2,1-2H3
InChIKeyXSWPVOWMSXGACL-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.07
Rot. Bonds4

About 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one

6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 134806479) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
PubChem CID134806479
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccsc3)c2n1
InChIInChI=1S/C16H15N5O2S/c1-19-8-13(11-4-6-24-10-11)15-18-12(7-21(15)16(19)22)9-23-14-3-5-17-20(14)2/h3-8,10H,9H2,1-2H3
InChIKeyXSWPVOWMSXGACL-UHFFFAOYSA-N
XLogP2.07
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one (CID 134806479) is 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one is Cn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccsc3)c2n1.
What is the InChIKey of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is XSWPVOWMSXGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-19-8-13(11-4-6-24-10-11)15-18-12(7-21(15)16(19)22)9-23-14-3-5-17-20(14)2/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 341.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134806479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).