6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one

C19H16F3N5O3 — CID 134808209

IUPAC6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H16F3N5O3/c1-25-10-15(12-4-3-5-14(8-12)30-19(20,21)22)17-24-13(9-27(17)18(25)28)11-29-16-6-7-23-26(16)2/h3-10H,11H2,1-2H3
InChIKeyOOFURPMHGGVRRB-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.91
Rot. Bonds5

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

6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 134808209) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID134808209
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H16F3N5O3/c1-25-10-15(12-4-3-5-14(8-12)30-19(20,21)22)17-24-13(9-27(17)18(25)28)11-29-16-6-7-23-26(16)2/h3-10H,11H2,1-2H3
InChIKeyOOFURPMHGGVRRB-UHFFFAOYSA-N
XLogP2.91
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 155923239
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WO2022090481, Example I-049
CID 164514178
2-(2-isopropylphenyl)-7-methyl-9-(3-((1-methyl-1H-
CID 129139842
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CID 167524220
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one (CID 134808209) is 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one is Cn1nccc1OCc1cn2c(=O)n(C)cc(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is OOFURPMHGGVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-25-10-15(12-4-3-5-14(8-12)30-19(20,21)22)17-24-13(9-27(17)18(25)28)11-29-16-6-7-23-26(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one?
6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]-8-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 419.36 g/mol, XLogP of 2.91, 5 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-[3-(trifluoromethoxy)phenyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134808209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).